9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)-

Base Information

Chemical Name:9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)-
CAS No.:125802-46-2
Molecular Formula:C18H13 Br Cl N5
Molecular Weight:414.6863
Hs Code.:
ChEMBL ID:CHEMBL26199
DSSTox Substance ID:DTXSID70925276
Nikkaji Number:J294.140F
Wikidata:Q82899569
Mol file:125802-46-2.mol

Synonyms:125802-46-2;9-Benzyl-N-(4-bromophenyl)-2-chloro-9H-purin-6-amine;9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)-;CHEMBL26199;DTXSID70925276;9-benzyl-N-(4-bromophenyl)-2-chloro-purin-6-amine

Suppliers and Price of 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-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 3 raw suppliers

Chemical Property of 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)-

Chemical Property:

Vapor Pressure:1.03E-11mmHg at 25°C
Boiling Point:539.7°Cat760mmHg
Flash Point:280.2°C
Density:1.59g/cm³
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:413.00429
Heavy Atom Count:25
Complexity:428

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)Cl)NC4=CC=C(C=C4)Br

Technology Process of 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)-

There total 3 articles about 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-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: 54.0%

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

: 106-40-1
4-bromo-aniline

: 125802-46-2
(9-benzyl-2-chloro-9H-purin-6-yl)-(4-bromophenyl)amine

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In propan-1-ol; at 100 ℃; Inert atmosphere; Sealed tube;
DOI:10.1021/acs.jmedchem.7b01529

Reference yield:

: 5451-40-1
2,6 dichloropurine

: 125802-46-2
(9-benzyl-2-chloro-9H-purin-6-yl)-(4-bromophenyl)amine

Guidance literature:: Multi-step reaction with 2 steps

2: N-ethyl-N,N-diisopropylamine / propan-1-ol / 100 °C / Inert atmosphere; Sealed tube

With N-ethyl-N,N-diisopropylamine; In propan-1-ol; 1: |Mitsunobu Displacement;
DOI:10.1021/acs.jmedchem.7b01529

Reference yield:

: 100-51-6,185532-71-2
benzyl alcohol

: 125802-46-2
(9-benzyl-2-chloro-9H-purin-6-yl)-(4-bromophenyl)amine

Guidance literature:: Multi-step reaction with 2 steps

2: N-ethyl-N,N-diisopropylamine / propan-1-ol / 100 °C / Inert atmosphere; Sealed tube

With N-ethyl-N,N-diisopropylamine; In propan-1-ol; 1: |Mitsunobu Displacement;
DOI:10.1021/acs.jmedchem.7b01529