5-Chloro-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine

Base Information

Chemical Name:5-Chloro-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CAS No.:91322-01-9
Molecular Formula:C10H6ClN5
Molecular Weight:231.644
Hs Code.:
DSSTox Substance ID:DTXSID10554145
Wikidata:Q82435006

Synonyms:91322-01-9;5-Chloro-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine;SCHEMBL11032853;DTXSID10554145

Suppliers and Price of 5-Chloro-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine

Supply Marketing:

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

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Chemical Property of 5-Chloro-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:231.0311729
Heavy Atom Count:16
Complexity:245

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)N2C3=NC(=NC=C3N=N2)Cl

Technology Process of 5-Chloro-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine

There total 5 articles about 5-Chloro-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine 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: 9.0%

: 139300-72-4
5-chloro-7-iodo-3-phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine

: 91322-01-9
5-chloro-3-phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine

Guidance literature:: With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; at -100 ℃; for 0.00833333h;
DOI:10.1248/cpb.39.2793

Reference yield:

: 91322-19-9
7-amino-5-chloro-3-phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine

: 91322-01-9
5-chloro-3-phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1: 66 percent / isopentyl nitrite, CH₂I₂ / 96 h / 85 °C

2: 9 percent / BuLi, TMEDA / tetrahydrofuran / 0.01 h / -100 °C

With n-butyllithium; diiodomethane; N,N,N,N,-tetramethylethylenediamine; isopentyl nitrite; In tetrahydrofuran;
DOI:10.1248/cpb.39.2793

Reference yield:

: 91321-85-6
5,7-dichloro-3-phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine

: 91322-01-9
5-chloro-3-phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine

Guidance literature:: Multi-step reaction with 3 steps

1: 93 percent / 28percent aq. NH₄OH / dimethylformamide / 0.08 h / Ambient temperature

2: 66 percent / isopentyl nitrite, CH₂I₂ / 96 h / 85 °C

3: 9 percent / BuLi, TMEDA / tetrahydrofuran / 0.01 h / -100 °C

With ammonium hydroxide; n-butyllithium; diiodomethane; N,N,N,N,-tetramethylethylenediamine; isopentyl nitrite; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1248/cpb.39.2793