50508-60-6

Basic information

• Product Name: 2-Amino-3-o-chlorobenzoyl-5-ethylthiophene
• Synonyms: 2-Amino-3-o-chlorobenzoyl-5-ethylthiophene;2-Amino-5-ethyl-3-(2-chlorobenzoyl)thiophene;Methanone,(2-aMino-5-ethyl-3-thienyl)(2-chlorophenyl)-;(2-AMino-5-ethylthiophen-3-yl)(2-chlorophenyl)Methanone
• CAS NO: 50508-60-6
• Molecular Formula: C₁₃H₁₂ClNOS
• Molecular Weight: 265.75848
• Product Categories: Thiophene heterocycles
• Mol File: 50508-60-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 454.81 °C at 760 mmHg
• Flash Point: 228.861 °C
• Appearance: /
• Density: 1.302
• Vapor Pressure: 1.85E-08mmHg at 25°C
• Refractive Index: 1.635
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: -1.81±0.10(Predicted)
• CAS DataBase Reference: 2-Amino-3-o-chlorobenzoyl-5-ethylthiophene(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Amino-3-o-chlorobenzoyl-5-ethylthiophene(50508-60-6)
• EPA Substance Registry System: 2-Amino-3-o-chlorobenzoyl-5-ethylthiophene(50508-60-6)

Safety Data

• Hazardous Substances Data: 50508-60-6(Hazardous Substances Data)

Usage

Description

2-Amino-3-o-chlorobenzoyl-5-ethylthiophene can be used as the raw material for the synthesis of Etizolam, which is an important sedative hypnotic and antidepressant drug. Its derivative, 2-amino-3-(p-chlorobenzoyl) thiophene scaffold has been widely employed as a pharmacophore for the identification of small molecules acting as allosteric modulators at the adenosine A1 receptor.

References

Kai, Yong Mao, et al. "An Improved Synthesis of Etizolam." Journal of Southwest University of Science & Technology ?(2014). Romagnoli, R, et al. Synthesis and biological evaluation of a new series of 2-amino-3-aroyl thiophene derivatives as agonist allosteric modulators of the A1 adenosine receptor. A position-dependent effect study..Longing for the end. Macmillan, 2015:185–204.

Chemical Properties

Yellow Solid

Uses

Used in the preparation of thienylamide derivatives as cholecystokinin inhibitors.

InChI:InChI=1/C13H12ClNOS/c1-2-8-7-10(13(15)17-8)12(16)9-5-3-4-6-11(9)14/h3-7H,2,15H2,1H3

Upstream product

• 40018-25-5 2-Chlorobenzoyl acetonitrile 
• 123-72-8 butyraldehyde 

Downstream Products

• 130534-64-4 [(2-tert-Butoxycarbonylamino-5-ethyl-thiophen-3-yl)-(2-chloro-phenyl)-methylsulfanyl]-acetic acid ethyl ester 
• 130534-66-6 [(2-tert-Butoxycarbonylamino-5-ethyl-thiophen-3-yl)-(2-chloro-phenyl)-methylsulfanyl]-acetic acid 
• 130534-73-5 4-(2-Chloro-phenyl)-2-ethyl-9-methyl-4H,6H-1,5-dithia-7,8,9a-triaza-cyclopenta[e]azulene 
• 130534-62-2 {3-[(2-Chloro-phenyl)-hydroxy-methyl]-5-ethyl-thiophen-2-yl}-carbamic acid tert-butyl ester 
• 130534-70-2 5-(2-Chloro-phenyl)-7-ethyl-1,5-dihydro-thieno[2,3-e][1,4]thiazepine-2-thione 

Relevant articles and documents

THE SYNTHESIS OF THIENOTRIAZOLOTHIAZEPINES

Some derivatives of thienotriazolothiazepine, a novel heteroazepine, were synthesized.These compounds showed anti-PAF activity.