9H-Purin-6-amine, 2-chloro-N-(3-(methylsulfonyl)phenyl)-9-(phenylmethyl)-

Base Information

Chemical Name:9H-Purin-6-amine, 2-chloro-N-(3-(methylsulfonyl)phenyl)-9-(phenylmethyl)-
CAS No.:125802-65-5
Molecular Formula:C19H16 Cl N5 O2 S
Molecular Weight:413.8806
Hs Code.:
ChEMBL ID:CHEMBL286523
DSSTox Substance ID:DTXSID10925295
Nikkaji Number:J294.158I
Wikidata:Q82899596
Mol file:125802-65-5.mol

Synonyms:125802-65-5;9H-Purin-6-amine, 2-chloro-N-(3-(methylsulfonyl)phenyl)-9-(phenylmethyl)-;9-benzyl-2-chloro-N-(3-methylsulfonylphenyl)purin-6-amine;9H-Purin-6-amine, 2-chloro-N-[3-(methylsulfonyl)phenyl]-9-(phenylmethyl)-;CHEMBL286523;DTXSID10925295;9-Benzyl-2-chloro-N-(3-(methylsulfonyl)phenyl)-9H-purin-6-amine;9-Benzyl-2-chloro-N-[3-(methanesulfonyl)phenyl]-9H-purin-6-amine

Suppliers and Price of 9H-Purin-6-amine, 2-chloro-N-(3-(methylsulfonyl)phenyl)-9-(phenylmethyl)-

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 1 raw suppliers

Chemical Property of 9H-Purin-6-amine, 2-chloro-N-(3-(methylsulfonyl)phenyl)-9-(phenylmethyl)-

Chemical Property:

Vapor Pressure:6.57E-16mmHg at 25°C
Boiling Point:632.6°Cat760mmHg
Flash Point:336.4°C
Density:1.46g/cm³
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:413.0713236
Heavy Atom Count:28
Complexity:624

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:CS(=O)(=O)C1=CC=CC(=C1)NC2=C3C(=NC(=N2)Cl)N(C=N3)CC4=CC=CC=C4

Technology Process of 9H-Purin-6-amine, 2-chloro-N-(3-(methylsulfonyl)phenyl)-9-(phenylmethyl)-

There total 2 articles about 9H-Purin-6-amine, 2-chloro-N-(3-(methylsulfonyl)phenyl)-9-(phenylmethyl)- 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: 62.0%

: 35216-39-8
3-(methylsulfonyl)aniline

: 79064-26-9
9-benzyl-2,6-dichloro-9H-purine

: 125802-65-5
(9-Benzyl-2-chloro-9H-purin-6-yl)-(3-methanesulfonyl-phenyl)-amine

Guidance literature:: In ethanol; water; for 18h; Heating;
DOI:10.1021/jm00167a012

Reference yield:

: 2976-32-1
1-methanesulfonyl-3-nitro-benzene

: 125802-65-5
(9-Benzyl-2-chloro-9H-purin-6-yl)-(3-methanesulfonyl-phenyl)-amine

Guidance literature:: Multi-step reaction with 2 steps

1: 93 percent / H₂ / 5percent Pd/C / methanol / 1.5 h / 1520 - 2280 Torr

2: 62 percent / ethanol; H₂O / 18 h / Heating

With hydrogen; palladium on activated charcoal; In methanol; ethanol; water;
DOI:10.1021/jm00167a012