169776-86-7

Basic information

• Product Name: 3-(6-AMINO-8-BROMO-3H-PURIN-3-YL)-1,2-PROPANEDIOL
• Synonyms: 3-(6-AMINO-8-BROMO-3H-PURIN-3-YL)-1,2-PROPANEDIOL;8-Bromo-3-(2′,3′-dioxypropyl)-adenine
• CAS NO: 169776-86-7
• Molecular Formula: C8H10BrN5O2
• Molecular Weight: 288.1
• Mol File: 169776-86-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 475.6±55.0 °C(Predicted)
• Appearance: /
• Density: 2.16±0.1 g/cm3(Predicted)
• PKA: 13.28±0.20(Predicted)
• CAS DataBase Reference: 3-(6-AMINO-8-BROMO-3H-PURIN-3-YL)-1,2-PROPANEDIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(6-AMINO-8-BROMO-3H-PURIN-3-YL)-1,2-PROPANEDIOL(169776-86-7)
• EPA Substance Registry System: 3-(6-AMINO-8-BROMO-3H-PURIN-3-YL)-1,2-PROPANEDIOL(169776-86-7)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 169776-86-7(Hazardous Substances Data)

Upstream product

• 556-52-5 oxiranyl-methanol 
• 6974-78-3 8-bromoadenine 
• 66224-66-6 adenine 
• 303014-69-9 (S)-8-Bromo-3-[2-hydroxy-3-(trityloxy)propyl]adenine 
• 25487-11-0 3-(2,3-dihydroxypropyl)adenine 

Relevant articles and documents

Synthesis of acyclic nucleoside and nucleotide analogs derived from 6-amino-7H-purin-8(9H)-one

Reaction of 8-bromoadenine derivatives 2 with sodium acetate in acetic acid and cleavage of (S)-7-[(trityloxy)methyl]-7,8-dihydro[1,3]oxazolo[3,2-e]purin-4-amine (12) and diisopropyl (S)-[[(4-amino-8,9-dihydro-7H-[1,3]oxazino[3,2-e]purin-8-yl)oxy]methyl]phosphona te (13a) were used for the synthesis of the corresponding N9-substituted derivatives of 6-amino-7H-purin-8(9H)-one 3a-3c and 7. Alkylation of 6-amino-7H-purin-8(9H)-one (3a) with diverse alkylation agents afforded the title N9-monosubstituted 3b, 3d and 7a and N7,N9-disubstituted acyclic nucleoside and nucleotide analogs 6b, 6d and 8a.