4367-64-0

Basic information

• Product Name: 3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid
• Synonyms: 3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid
• CAS NO: 4367-64-0
• Molecular Formula: C8H8N4O2S
• Molecular Weight: 224.23972
• Mol File: 4367-64-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 583.5°Cat760mmHg
• Flash Point: 306.7°C
• Appearance: /
• Density: 1.69g/cm³
• Vapor Pressure: 1.85E-14mmHg at 25°C
• Refractive Index: 1.796
• CAS DataBase Reference: 3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid(4367-64-0)
• EPA Substance Registry System: 3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid(4367-64-0)

Safety Data

• Hazardous Substances Data: 4367-64-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H8N4O2S/c13-5(14)1-2-12-4-11-6-7(12)9-3-10-8(6)15/h3-4H,1-2H2,(H,13,14)(H,9,10,15)

Upstream product

• 4301-59-1 9-(2-cyanomethyl)-6-mercaptopurine 

Relevant articles and documents

HYDROLYTIC CLEAVAGE OF 6-OXOPURINES AFTER INTRAMOLECULAR ACYLATION AT N-3

Reaction of 9H-hypoxanthin-9-yl propionic acid (2c) as well as of its 6-mercapto analogue (2d) with N--N'-ethylcarbodiimide hydrochloride results in an intramolecular acylation at N-3 followed by a spontaneous hydroxylation at C-2 and opening of the pyrimidine ring.The products of these reaction sequences are the imidazopyrimidines (5c,d) which were deformylated to give the compounds 6a,b.The half-life values of the ring transformations of 2c,d as well as of its isosteres 2a,b imply that the "over-all" kinetics are 1. independent of the structure of the five-membered ring and 2. strongly effected by the 6-substituent.It is proposed that the intramolecular acylation is the rate-limiting step of the reaction cascade.