Methylammonium Acetate(MAAc) - ≥99.5% , CAS No.6998-30-7

CAS: 6998-30-7 Cat. No.: M196608 Molecular Weight: 91.11 EC Number: 835-899-6 PubChem CID: 5259270

GRADE & PURITY ≥99.5%

Synonyms

propan-2-yl 7-methyl-2-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

propan-2-yl 7-methyl-2-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1, 3]thiazolo[3, 2-a]pyrimidine-6-carboxylate | Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H

Specifications & Purity

≥99.5%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99.5%

Names and Identifiers

• Canonical Smiles: CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC(C)C)C5=CC=C(C=C5)SC)C6=CC=CC=C6)OCC=C
• IUPAC Name: propan-2-yl 7-methyl-2-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• InChIKey: QILUFVJSEAEPCY-UHFFFAOYSA-N
• INCHI: 1S/C38H36N4O4S2/c1-7-19-45-31-18-15-27(20-24(31)4)34-28(22-41(40-34)29-11-9-8-10-12-29)21-32-36(43)42-35(26-13-16-30(47-6)17-14-26)33(37(44)46-23(2)3)25(5)39-38(42)48-32/h7-18,20-23,35H,1,19H2,2-6H3
• Isomeric SMILES: CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC(C)C)C5=CC=C(C=C5)SC)C6=CC=CC=C6)OCC=C
• PubChem CID: 5259270
• Molecular Weight: 91.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Thiophenol ethers Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Alkylarylthioethers Thiazoles Enoate esters Heteroaromatic compounds Lactams Isothioureas Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpyrazole - Phenoxy compound - Aryl thioether - Thiophenol ether - Phenol ether - Alkyl aryl ether - Toluene - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Thiazole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Carboxylic acid ester - Lactam - Isothiourea - Carboxylic acid derivative - Ether - Azacycle - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: High soluble in organic solvent.
• Sensitivity: Moisture sensitive
• Boil Point(°C): 53 °C/3 mmHg
• Melt Point(°C): 75 °C