6-(4-Nitrobenzylthio)-purine

Base Information

Chemical Name:6-(4-Nitrobenzylthio)-purine
CAS No.:5434-26-4
Molecular Formula:C12H9 N5 O2 S
Molecular Weight:287.302
Hs Code.:
NSC Number:15749
DSSTox Substance ID:DTXSID90391419
ChEMBL ID:CHEMBL4798875

Synonyms:6-(4-Nitrobenzylthio)-purine;5434-26-4;CHEMBL4798875;Oprea1_567864;SCHEMBL5044731;DTXSID90391419;UBRDHOJAHBCLCW-UHFFFAOYSA-N;NSC15749;6-[(4-nitrobenzyl)-mercapto]purine;BDBM50562380;NSC-15749

Suppliers and Price of 6-(4-Nitrobenzylthio)-purine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of 6-(4-Nitrobenzylthio)-purine

Chemical Property:

Vapor Pressure:2.39E-09mmHg at 25°C
Boiling Point:492.1°C at 760 mmHg
Flash Point:251.4°C
Density:1.6g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:287.04769572
Heavy Atom Count:20
Complexity:345

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CSC2=NC=NC3=C2NC=N3)[N+](=O)[O-]

Technology Process of 6-(4-Nitrobenzylthio)-purine

There total 4 articles about 6-(4-Nitrobenzylthio)-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: 98.0%

: 157930-09-1,157930-10-4,157930-11-5,157930-13-7,157930-14-8
6-Mercaptopurine

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 5434-26-4
6-[(4-nitrobenzyl)sulfanyl]-9H-purine

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; for 4h;
DOI:10.1021/jm049735v

Reference yield: 69.0%

: 157930-09-1,157930-10-4,157930-11-5,157930-13-7,157930-14-8
6-Mercaptopurine

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 5434-26-4
6-[(4-nitrobenzyl)sulfanyl]-9H-purine

Guidance literature:: 6-Mercaptopurine; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

1-bromomethyl-4-nitro-benzene; In N,N-dimethyl-formamide; at 20 ℃;
DOI:10.1016/j.ejmech.2020.112968