3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-chloro-5-phenyl-3-(phenylmethyl)-

Base Information

Chemical Name:3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-chloro-5-phenyl-3-(phenylmethyl)-
CAS No.:433922-12-4
Molecular Formula:C17H12ClN5
Molecular Weight:321.769
Hs Code.:
DSSTox Substance ID:DTXSID40467052
Wikidata:Q82293825
Mol file:433922-12-4.mol

Synonyms:433922-12-4;3-Benzyl-7-chloro-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine;3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-chloro-5-phenyl-3-(phenylmethyl)-;SCHEMBL5264056;DTXSID40467052

Suppliers and Price of 3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-chloro-5-phenyl-3-(phenylmethyl)-

Supply Marketing:

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

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Chemical Property of 3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-chloro-5-phenyl-3-(phenylmethyl)-

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:321.0781231
Heavy Atom Count:23
Complexity:383

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C4=CC=CC=C4)Cl)N=N2

Technology Process of 3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-chloro-5-phenyl-3-(phenylmethyl)-

There total 5 articles about 3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-chloro-5-phenyl-3-(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: 90.0%

: 105202-61-7
3-benzyl-5-phenyl-3,6-dihydro-1,2,3-triazolo[4,5-d]pyrimidin-7-one

: 433922-12-4
3-benzyl-5-phenyl-7-chloro-3H-1,2,3-triazolo[4,5-d]pyrimidine

Guidance literature:: With thionyl chloride; In chloroform; N,N-dimethyl-formamide; for 4h; Heating;
DOI:10.1016/S0014-827X(03)00095-8

Reference yield:

: 93-89-0,99341-95-4
benzoic acid ethyl ester

: 433922-12-4
3-benzyl-5-phenyl-7-chloro-3H-1,2,3-triazolo[4,5-d]pyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1: ethanol / 8 h / Heating

2: POCl₃; N,N-diethylaniline / 6 h / 90 °C

With N,N-diethylaniline; trichlorophosphate; In ethanol;
DOI:10.1016/j.bmc.2005.04.063

Reference yield:

: 4342-08-9
4-amino-3-benzyl-1,2,3-triazole-5-carboxamide

: 433922-12-4
3-benzyl-5-phenyl-7-chloro-3H-1,2,3-triazolo[4,5-d]pyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1: ethanol / 8 h / Heating

2: POCl₃; N,N-diethylaniline / 6 h / 90 °C

With N,N-diethylaniline; trichlorophosphate; In ethanol;
DOI:10.1016/j.bmc.2005.04.063