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

Base Information

Chemical Name:3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-chloro-3-[(2-fluorophenyl)methyl]-
CAS No.:119222-29-6
Molecular Formula:C11H7ClFN5
Molecular Weight:263.661
Hs Code.:
DSSTox Substance ID:DTXSID60439332
Nikkaji Number:J1.827.078A
Wikidata:Q82255252

Synonyms:119222-29-6;7-Chloro-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine;3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-chloro-3-[(2-fluorophenyl)methyl]-;SCHEMBL9475889;DTXSID60439332;LHTSUYPWOFSZSS-UHFFFAOYSA-N;3-(2-Fluorobenzyl)-7-chloro-3H-1,2,3-triazolo[4,5-d]pyrimidine;7-chloro-3-(2-fluorobenzyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine

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

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 0 raw suppliers

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

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:263.0374011
Heavy Atom Count:18
Complexity:295

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)Cl)N=N2)F

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

There total 4 articles about 3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-chloro-3-[(2-fluorophenyl)methyl]- 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: 63.0%

: 119222-30-9
3-(2-fluorobenzyl)-3H,6H,7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one

: 119222-29-6
3-(2-fluorobenzyl)-7-chloro-1,2,3-triazolo[4,5-d]pyrimidine

Guidance literature:: With thionyl chloride; N,N-dimethyl-formamide; In chloroform; for 2h; Heating;
DOI:10.1016/S0223-5234(99)00205-6

Reference yield:

: 101155-07-1
5-Amino-4-chloro-6-(2-fluorobenzylamino)pyrimidine

: 119222-29-6
3-(2-fluorobenzyl)-7-chloro-1,2,3-triazolo[4,5-d]pyrimidine

Guidance literature:: With hydrogenchloride; sodium nitrite; In ethanol; for 0.25h;
DOI:10.1021/jm00019a019

Reference yield:

: 62284-30-4
2-fluorobenzyl azide

: 119222-29-6
3-(2-fluorobenzyl)-7-chloro-1,2,3-triazolo[4,5-d]pyrimidine

Guidance literature:: Multi-step reaction with 3 steps

1.1: NaOEt / ethanol / 0.5 h

1.2: 73 percent / ethanol / Heating

2.1: 56 percent / 2 h / Heating

3.1: 63 percent / SOCl₂; DMF / CHCl₃ / 2 h / Heating

With thionyl chloride; sodium ethanolate; N,N-dimethyl-formamide; In ethanol; chloroform; 1.1: Addition / 1.2: Cycloaddition / 2.1: cyclocondensation / 3.1: Substitution;
DOI:10.1016/S0223-5234(99)00205-6