4-Bromo-alpha-((1H-purin-6-ylthio)methyl)benzenemethanol

Base Information

• Chemical Name: 4-Bromo-alpha-((1H-purin-6-ylthio)methyl)benzenemethanol
• CAS No.: 106609-68-1
• Molecular Formula: C13H11 Br N4 O S
• Molecular Weight: 351.2216
• DSSTox Substance ID: DTXSID20910051
• Mol file: 106609-68-1.mol

Synonyms:BRN 5603989;106609-68-1;4-Bromo-alpha-((1H-purin-6-ylthio)methyl)benzenemethanol;Benzenemethanol, 4-bromo-alpha-((1H-purin-6-ylthio)methyl)-;C13H11BrN4OS;DTXSID20910051;C13-H11-Br-N4-O-S;STK542853;AKOS005472158;LS-30643;1-(4-bromophenyl)-2-(9H-purin-6-ylsulfanyl)ethanol;1-(4-Bromophenyl)-2-[(9H-purin-6-yl)sulfanyl]ethan-1-ol

Chemical Property of 4-Bromo-alpha-((1H-purin-6-ylthio)methyl)benzenemethanol

Chemical Property:

• Vapor Pressure: 6.28E-18mmHg at 25°C
• Boiling Point: 652.7°Cat760mmHg
• Flash Point: 348.6°C
• Density: 1.75g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 349.98369
• Heavy Atom Count: 20
• Complexity: 317

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CSC2=NC=NC3=C2NC=N3)O)Br

Technology Process of 4-Bromo-alpha-((1H-purin-6-ylthio)methyl)benzenemethanol

There total 1 articles about 4-Bromo-alpha-((1H-purin-6-ylthio)methyl)benzenemethanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

1-(4-bromophenyl)-2-(9H-purin-6-ylthio)ethanone (80985-23-5) → 1-(4-Bromo-phenyl)-2-(9H-purin-6-ylsulfanyl)-ethanol (106609-68-1)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 - 22 ℃; for 3h;

DOI:10.1007/BF00763779

upstream raw materials:

1-(4-bromophenyl)-2-(9H-purin-6-ylthio)ethanone