Benzoic acid, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-, ethyl ester

Base Information

Chemical Name:Benzoic acid, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-, ethyl ester
CAS No.:125802-50-8
Molecular Formula:C₂₁H₁₈ClN₅O₂
Molecular Weight:407.859
Hs Code.:
ChEMBL ID:CHEMBL282832
DSSTox Substance ID:DTXSID60925280
Nikkaji Number:J294.135J
Wikidata:Q82899575
Mol file:125802-50-8.mol

Synonyms:125802-50-8;Benzoic acid, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-, ethyl ester;Benzoic acid, 4-[[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]amino]-, ethyl ester;CHEMBL282832;DTXSID60925280;ETHYL 4-[(9-BENZYL-2-CHLORO-PURIN-6-YL)AMINO]BENZOATE;Ethyl 4-[(9-benzyl-2-chloro-9H-purin-6-yl)amino]benzoate

Suppliers and Price of Benzoic acid, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-, ethyl ester

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 2 raw suppliers

Chemical Property of Benzoic acid, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-, ethyl ester

Chemical Property:

Vapor Pressure:4.86E-13mmHg at 25°C
Boiling Point:570.8°Cat760mmHg
Flash Point:299°C
Density:1.36g/cm³
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:407.1149025
Heavy Atom Count:29
Complexity:539

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzoic acid, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-, ethyl ester

There total 1 articles about Benzoic acid, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-, ethyl ester 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: 53.0%