1-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-5-[(glycylamino)methyl]-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide | CAS No. 99593-25-6

1-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-5-[(glycylamino)methyl]-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide

Basic Information

CAS Number

99593-25-6

Molecular Formula

C21H20Cl2N6O3

Molecular Weight

475.34 g/mol

AD

Basic Physical Properties

CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)

InChIKey

KYHFRCPLIGODFH-UHFFFAOYSA-N

LogP

2.0817999999999994

Topological Polar Surface Area

123.21 Ų

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

696

Synonyms & References

English

  • SCHEMBL123946
  • EX-A5707
  • DTXSID10244150
  • 1H-1,2,4-Triazole-3-carboxamide, 5-(((aminoacetyl)amino)methyl)-1-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N,N-dimethyl-, monohydrochloride
  • 1H-1,2,4-Triazole-3-carboxamide, 5-(((aminoacetyl)amino)methyl)-1-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N,N-dimethyl-
  • Rilmazafonum
  • 5-((2-Aminoacetamido)methyl)-1-(4-chloro-2-(o-chlorobenzoyl)phenyl)-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide
  • RILMAZAFONE [WHO-DD]
  • Rilmazafonum [Latin]
  • 99593-25-6
  • Rilmazafona [Spanish]
  • Rilmazafone [INN]
  • CU3H37T766
  • D08481
  • RILMAZAFONE [MI]
  • Rilmazafone (INN)
  • CHEMBL2107197
  • CS-0026029
  • AKOS016014131
  • 99593-25-6 free base)
  • Rilmazafona
  • 5-[[(2-aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide
  • Q7334297
  • 1H-1,2,4-Triazole-3-carboxamide,5-[[(aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-
  • HY-106547
  • CHEBI:135767
  • Rilmazafone
  • UNII-CU3H37T766
  • 1-[4-bromo-3-methylphenyl]-1H-pyrrole-2,5-dione
  • 1-[4-chloro-2-(2-chloro-benzoyl)-phenyl]-5-(glycylamino-methyl)-1H-[1,2,4]triazole-3-carboxylic acid dimethylamide
  • 2',5-dichloro-2-(3-dimethylcarbamoyl-5-glycylaminomethyl-1H-1,2,4-triazol-1-yl)benzophenone

FAQ

What are the physical and chemical properties of 1-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-5-[(glycylamino)methyl]-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide (CAS: 99593-25-6)?

This compound is a crystalline solid with a molecular weight of approximately 527.2 g/mol. It has limited water solubility. Chemically, it is reactive towards nucleophiles due to its amine and carbonyl groups. It shows good stability towards heat and light but should be stored in a cool, dark place away from direct sunlight.

How is 1-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-5-[(glycylamino)methyl]-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide (CAS: 99593-25-6) typically synthesized?

This compound can be synthesized via a multistep procedure involving coupling reactions, amide formation, and derivatization. Common synthetic methods include peptide coupling reactions using HATU as a coupling agent and the use of chloroacetyl chloride as the chlorobenzoyl derivative. The yield is typically around 70-80%.

What industries use 1-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-5-[(glycylamino)methyl]-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide (CAS: 99593-25-6)?

This compound is primarily used in pharmaceuticals for its potential as an antiviral agent. It can also be used in the synthesis of other medicinally important compounds. Due to its chemical structure, it may find applications in the development of new materials, such as sensors and semiconductors, but this is less common.

What precautions should be taken when handling 1-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-5-[(glycylamino)methyl]-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide (CAS: 99593-25-6)?

When handling this compound, use appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work in a well-ventilated area or fume hood to avoid inhalation of vapors. Store in a cool, dry place away from direct sunlight and heat sources. Dispose of any waste according to local regulations and refer to the Safety Data Sheet (SDS) for more detailed instructions.

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