Month: April 2022

COA of Formula: C5H6O2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Mechanism research on catalytic pyrolysis of sulfated polysaccharide using ZSM-5 catalysts by Py-GC/MS and density functional theory studies. Author is Jiang, Ding; Xia, Zhen; Wang, Shuang; Li, Hongping; Gong, Xun; Yuan, Chuan; El-Fatah Abomohra, Abd; Cao, Bin; Hu, Xun; He, Zhixia; Wang, Qian.

The mechanisms of primary product formation on catalytic pyrolysis of seaweed sulfated polysaccharide with ZSM-5 were examined in detail by using Py-GC/MS anal. and subsequent d. functional theory. Results showed that furfurals were the main product (50.3%) in bio-oil during the catalytic pyrolysis of sulfated polysaccharides. Furfural (9.1%), 5-(Hydroxymethyl)-2(5 H)-furanone (3.1%) and acetone (3.2%) were defined as typical products of Glucuronic acid unit. 5-Me furfural (41.2%), 5-methyl-2(3 H)-Furanone (0.5%) and 5-Me furan (5.4%) can be converted from rhamnose unit. The subsequent d. functional theory calculation indicated that the catalytic pyrolysis of sulfated polysaccharides by ZSM-5 catalyst could boost the pyrolysis and upgrade the bio-oil quality since the promotion of hydrodeoxygenation on catalytic reactions and ZSM-5 could promote the formation of 5-Me furfural. The hydrogen bonding and van der Waals force interactions improved the pyrolysis pathways and decreased the energy barrier, which promoted the pyrolysis. This study confirmed that ZSM-5 had a catalytic influence on pyrolysis of sulfated polysaccharides through theor. and exptl. anal., which is helpful to understand the formation mechanism of seaweed catalytic pyrolysis products.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Chen, Junli; Campbell, Adrian P.; Urmi, Kaniz F.; Wakelin, Laurence P. G.; Denny, William A.; Griffith, Renate; Finch, Angela M. published the article 《Human α1-adrenoceptor subtype selectivity of substituted homobivalent 4-aminoquinolines》. Keywords: human adrenoceptor selectivity homobivalent aminoquinoline; 4-Aminoquinolines; 5-HT(1A)-receptor; Affinity; Selectivity; α(1)-adrenoceptor.They researched the compound: 4-Chloro-8-methylquinoline( cas:18436-73-2 ).COA of Formula: C10H8ClN. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:18436-73-2) here.

A series of ring-substituted ethyl- and heptyl-linked 4-aminoquinoline dimers were synthesized and evaluated for their affinities at the 3 human α1-adrenoceptor (α1-AR) subtypes and the human serotonin 5-HT1A-receptor (5-HT1A-R). We find that the structure-specificity profiles are different for the two series at the α1-AR subtypes, which suggests that homobivalent 4-aminoquinolines can be developed with α1-AR subtype selectivity. The 8-Me ethyl-linked analog has the highest affinity for the α1A-AR, 7 nM, and the greatest capacity for discriminating between α1A-AR and α1B-AR (6-fold), α1D-AR (68-fold), and the 5-HT1A-R (168-fold). α1B-AR selectivity was observed with the 6-Me derivative of the ethyl- and heptyl-linked 4-aminoquinoline dimers and the 7-methoxy (7-OMe) derivative of the heptyl-linked analog. These substitutions result in 4- to 80-fold selectivity for α1B-AR over α1A-AR, α1D-AR, and 5-HT1A-R. In contrast, 4-aminoquinoline dimers with selectivity for α1D-AR are more elusive, since none studied to date has greater affinity for the α1D-AR over the other two α1-ARs. The selectivity of the 8-Me ethyl-linked 4-aminoquinoline dimer for the α1A-AR, and 6-Me ethyl-linked, and the 6-Me and 7-OMe heptyl-linked 4-aminoquinoline dimers for the α1B-AR, makes them promising leads for drug development of α1A-AR or α1B-AR subtype selective ligands with reduced 5-HT1A-R affinity.

There is still a lot of research devoted to this compound(SMILES：CC1=C2N=CC=C(Cl)C2=CC=C1)COA of Formula: C10H8ClN, and with the development of science, more effects of this compound(18436-73-2) can be discovered.

Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Formula: C5H6O2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Combined targeted and untargeted profiling of volatile aroma compounds with comprehensive two-dimensional gas chromatography for differentiation of virgin olive oils according to variety and geographical origin. Author is Lukic, Igor; Carlin, Silvia; Horvat, Ivana; Vrhovsek, Urska.

Comprehensive two-dimensional gas chromatog. with time-of-flight mass spectrometry (GC × GC-TOF-MS) was combined with conventional mono-dimensional GC-MS to differentiate Croatian virgin olive oils (VOO) according to variety and geog. origin, based on the profile of volatile aroma compounds isolated by HS-SPME. More than 1000 compounds were detected after untargeted profiling and 256 were identified or tentatively identified, providing one of the most detailed profiles of volatile aroma compounds in VOO up to date. Among them, 131 volatile compounds were significantly different across monovarietal VOOs, while 60 were found useful for the discrimination according to geog. origin. Many major lipoxygenase and minor non-lipoxygenase-generated compounds were shown to have discriminating ability with respect to both factors. Multivariate statistical anal. extracted twenty-one volatile markers with the highest discriminant power for varietal differentiation. The approach reported may have practical application in better understanding, defining, managing, and communicating the varietal or geog. typicity of monovarietal VOOs.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 591-12-8, is researched, SMILESS is O=C1OC(C)=CC1, Molecular C5H6O2Journal, Green Chemistry called Synthesis of water-soluble, fully biobased cellulose levulinate esters through the reaction of cellulose and alpha-angelica lactone in a DBU/CO2/DMSO solvent system, Author is Pei, Min; Peng, Xinwen; Shen, Yuqing; Yang, Yunlong; Guo, Yuanlong; Zheng, Qiang; Xie, Haibo; Sun, Hui, the main research direction is biobased cellulose levulinate ester.SDS of cas: 591-12-8.

Cellulose esters are important cellulose derivatives with good processing ability and material properties. The design and sustainable synthesis of cellulose esters are prime research topics. Herein, cellulose levulinate esters (CLEs) with degrees of substitution (DSs) ranging from 0.15 to 2.04 were simply prepared through an atom-economic reaction between cellulose dissolved in a newly developed 1.8-diazabicyclo[5.4.0]undec-7-ene/dimethyl sulfoxide/carbon dioxide solvent system and alpha-angelica lactone, a biomass-derived and com. available platform chem., without the addition of any external catalysts or condensation reagents. The optimized reaction conditions of 120°C, 0.5 h, and a 5/1 molar ratio of alpha-angelica lactone to the hydroxyl groups in cellulose resulted in CLEs with appropriate DSs and satisfactory material properties. The structures and thermal properties of the CLEs were characterized by NMR spectroscopy, Fourier transform IR spectroscopy, differential scanning calorimetry, and thermal gravimetric anal. to develop an in-depth understanding of the correlations among the chem. structures, thermal properties, and mech. properties. A study of solubility in conventional solvents indicated that the CLEs with appropriate DSs were soluble in water, providing a green processing strategy to prepare CLE films with tensile strengths of up to 72 MPa and elongation at break values of up to 26.7%. The morphologies of the films were characterized by SEM and at. force microscopy. The cytotoxicity of the water-soluble CLEs was also evaluated in vaginal epithelial cells (VK2/E6E7) to identify the potential of the CLEs for biomedical applications.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride( cas:148-51-6 ) is researched.Name: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride.Singh, R. P.; Korytnyk, W. published the article 《Pyridoxine chemistry. VII. Some modifications in the 4-position of pyridoxol》 about this compound( cas:148-51-6 ) in Journal of Medicinal Chemistry. Keywords: ANTIMETABOLITES; CHEMISTRY, PHARMACEUTICAL; EXPERIMENTAL LAB STUDY; PHARMACOLOGY; PYRIDINES; PYRIDOXINE; SACCHAROMYCES. Let’s learn more about this compound (cas:148-51-6).

cf. preceding abstract Derivatives of I were prepared by treatment of 2,2,8-trimethyl-4H-m-dioxino[4,5-c]pyridine-5-methanol benzoate with HCl. I (R = OH) refluxed with SOCl2 and the residue treated with EtOH produced I (R = Cl). The catalytic (C) hydrogenation of I (R = Cl) afforded I (R = H). I (R = H) refluxed in KOH gave 4-deoxypyridoxine (II). I (R = Cl) stirred with Na2S2O5 produced I (R = SO3H). KCNS refluxed with I (R = Cl) gave I (R = SCN). Similarly, I (R = Cl) stirred with NaHS gave I (R = SH). I (R = H) was as active and I (R = SO3H) one-half as active as II in depressing lymphocyte count in rats fed a pyridoxine deficient diet, while the other reported derivatives were inactive. None of the other compounds inhibited the growth of Saccharomyces carlsbergensis. Cf. Schmidt, and Giesselmann, CA 58, 1429d.

There is still a lot of research devoted to this compound(SMILES：OC1=C(C)C(CO)=CN=C1C.[H]Cl)Name: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, and with the development of science, more effects of this compound(148-51-6) can be discovered.

Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Patzer, Emmons M.; Hilker, Doris M. published an article about the compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride( cas:148-51-6,SMILESS:OC1=C(C)C(CO)=CN=C1C.[H]Cl ).Name: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:148-51-6) through the article.

Gas-chromatog. separation of 4 vitamin B6 derivatives consisted of converting them into hemiacetals with EtOH, refluxing at 125° for 15 min, evaporating the excess EtOH at 70° under N, and adding the new reagent N-methylbistrifluoroacetamide [685-27-8], followed by refluxing at 125° for 20 min and injecting the samples onto a column packed with 5% silicone oil on Chromosorb P and using flame ionization detection. The compounds derivatized were pyridoxine-HCl (I) [58-56-0], pyridoxamine-di-HCl [524-36-7], deoxypyridoxine-HCl [148-51-6] and pyridoxal-HCl [65-22-5]. The min. detectable amount is ∼250 ng. The procedure is rapid, clean, and simple.

There is still a lot of research devoted to this compound(SMILES：OC1=C(C)C(CO)=CN=C1C.[H]Cl)Name: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, and with the development of science, more effects of this compound(148-51-6) can be discovered.

Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Biological radiation protection. LIX. The meaning of radiation-caused changes in the content of metabolites to the survival rate of mice》. Authors are Melching, Hans Joachim; Abe, Mitsuyuki; Streffer, Christian.The article about the compound:5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloridecas:148-51-6,SMILESS:OC1=C(C)C(CO)=CN=C1C.[H]Cl).Quality Control of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride. Through the article, more information about this compound (cas:148-51-6) is conveyed.

After radiation, changes occur in albumin metabolism, especially in the case of tryptophan and cysteine. The changes reflect a curbing of the activity of amino acid decarboxylase with pyridoxal 5-phosphate as coenzyme. The following compounds increased the mortality rate when given with an x-ray dose of 505 r. (L.D.16/30): 4-deoxypyridoxine-HCl, isonicotinic acid hydrazide,DL-tryptophan, DL-kynurenine, and L-kynurenine. Taurine, given with 590 r. (L.D.64/30), increased the survival rate.

There is still a lot of research devoted to this compound(SMILES：OC1=C(C)C(CO)=CN=C1C.[H]Cl)Quality Control of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, and with the development of science, more effects of this compound(148-51-6) can be discovered.

Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Compounds affecting the development of housefly larvae, published in 1963, which mentions a compound: 148-51-6, mainly applied to , Reference of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride.

Larval medium (50 g.) was saturated with 100 ml. of water containing 0.5-0.1 g. of the compound and 100 housefly eggs added. After 4 days it was examined for larvae and 3 days later for pupae. Emerging flies laid their eggs on untreated medium after 7 days. A sample of eggs remained in the medium, which was examined for larvae. The flies of this generation were reared to the adult stage. Compounds (245) are listed which are larvicides at 0.5 g. but not at 0.1 g. dosage; 64 compounds are larvicides at a dosage of ≤0.1 g.; 19 cause mortality in the pupal stage. 1,4-Bis(3-hydroxypropionyl)piperazine dimethanesulfonate causes low oviposition or failure of eggs to hatch at 0.05 and 0.025%, low enough to permit some adult emergence.

There is still a lot of research devoted to this compound(SMILES：OC1=C(C)C(CO)=CN=C1C.[H]Cl)Reference of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, and with the development of science, more effects of this compound(148-51-6) can be discovered.

Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 5-Chloro-4-iodopyridin-2-amine, is researched, Molecular C5H4ClIN2, CAS is 1260667-65-9, about From Milligram to Kilogram Manufacture of AZD4573: Making It Possible by Application of Enzyme-, Iridium-, and Palladium-Catalyzed Key Transformations.Electric Literature of C5H4ClIN2.

With the first generation medicinal chem. synthesis as a starting point, herein process development of AZD4573, an oncol. drug candidate was described. In addition to improved yields and removal of chromatog. steps, other factors such as availability of starting materials as well as safety of the chem. involved were addressed. With several steps involving volatile, reactive, and non-UV active materials, reaction optimization was facilitated by implementing off-line 1H NMR anal. of crude mixtures Key transformations targeted for process development included a Wolff-Kishner reduction, an iridium-catalyzed borylation, and enzymic resolution of a racemic amino-ester.

There is still a lot of research devoted to this compound(SMILES：NC1=NC=C(Cl)C(I)=C1)Electric Literature of C5H4ClIN2, and with the development of science, more effects of this compound(1260667-65-9) can be discovered.

Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Synthetical and natural phellandrene》. Authors are Kondakoff, Iwan; Schindelmeiser, Iwan.The article about the compound:5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloridecas:148-51-6,SMILESS:OC1=C(C)C(CO)=CN=C1C.[H]Cl).Quality Control of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride. Through the article, more information about this compound (cas:148-51-6) is conveyed.

Compare Abstract, 1903, i, 845. tert.-Carvomenthyl chloride, obtained from tert.-carvomenthol, boils at 83.5-84.5° under 12 mm. pressure, has a sp. gr. 0.932 at 20°/4°, and forms tert.-carvomenthene, which boils at 174-176°, has a sp. gr. 0.811 at 20°/4°, and nD 1.45709. On treatment with bromine in strongly cooled light petroleum solution, this yields carvomenthene dibromide, which boils between 130° and 144° under 11 mm. pressure, has a sp. gr. 1.208 at 20°/4°, is optically inactive, and by alcoholic potassium hydroxide is converted into a hydrocarbon or mixture of hydrocarbons which must have the constitution (the original abstract includes an equation). This distils in two fractions: the larger boils at 175-180°, has a sp. gr. 0.825 at 20°/4°, and nD 1.46693; the smaller boils at 180-185°, has a sp. gr. 0.828 at 20°/4°, and nD 1.4673. The hydrocarbon is not identical therefore with natural phellandrene. Both fractions are optically inactive and give a red coloration with sulphuric acid in acetic acid solution. A specimen of phellandrene from Phellandrum aquaticum, which boils at 165-168°, has a sp. gr. 0.844 at 20°/4°, nD 1.47575, and [α]D +8°37′ at 20°, reacts with hydrochloric acid in acetic acid solution to form a dextrorotatory chloro-derivative, C10H17Cl, which melts at 110° and boils at 86° under 11 mm. pressure, and a dichloride, C10H18Cl2, which boils at 122.5-125° under 16 mm. pressure, and has a sp. gr. 1.006 at 20°/4° and nD 1.48516 at 20° (compare Pesci, Abstract, 1886, 1038).

There is still a lot of research devoted to this compound(SMILES：OC1=C(C)C(CO)=CN=C1C.[H]Cl)Quality Control of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, and with the development of science, more effects of this compound(148-51-6) can be discovered.

Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia