6-(2-chloroethylsulfanyl)-7H-purine

Base Information

• Chemical Name: 6-(2-chloroethylsulfanyl)-7H-purine
• CAS No.: 91724-42-4
• Molecular Formula: C₇H₇ClN₄S
• Molecular Weight: 214.678
• NSC Number: 22415
• DSSTox Substance ID: DTXSID60402400
• Wikidata: Q82205806
• Mol file: 91724-42-4.mol

Synonyms:91724-42-4;6-(2-chloroethylsulfanyl)-7H-purine;6-(b-chloro-ethylmercapto)purine;DTXSID60402400;NSC22415;NSC-22415

Chemical Property of 6-(2-chloroethylsulfanyl)-7H-purine

Chemical Property:

• Vapor Pressure: 0.000144mmHg at 25°C
• Boiling Point: 342.9°Cat760mmHg
• Flash Point: 161.2°C
• Density: 1.64g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 214.0079951
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)SCCCl

Technology Process of 6-(2-chloroethylsulfanyl)-7H-purine

There total 2 articles about 6-(2-chloroethylsulfanyl)-7H-purine 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:

6H-purine-6-thione (50-44-2) + 1-Bromo-2-chloroethane (107-04-0) → 6-(2-chloro-ethylmercapto)-7(9)H-purine (91724-42-4)

Guidance literature:

With potassium carbonate; N,N-dimethyl-formamide;

DOI:10.1021/ja01556a026

Reference yield:

→ 6-(2-Chlor-ethylmercapto)-purin (91724-42-4)

Guidance literature:

Purin-6(1H)-thion-monohydrat, 2-Chlor-1-brom-ethan, Triethylamin, DMF, 31-32grad;

DOI:10.1021/jo01067a102

Reference yield:

6-(2-Chlor-ethylmercapto)-purin (91724-42-4) → 7,8-dihydro-thiazolo[2,3-i]purine (91982-47-7)

Guidance literature:

In ethanol;

DOI:10.1021/jo01067a102

upstream raw materials:

6H-purine-6-thione

1-Bromo-2-chloroethane

Downstream raw materials:

7,8-dihydro-thiazolo[2,3-i]purine