4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole

Base Information

• Chemical Name: 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole
• CAS No.: 41425-60-9
• Molecular Formula: C9H8BrN3
• Molecular Weight: 238.087
• European Community (EC) Number: 845-722-4
• DSSTox Substance ID: DTXSID70351753
• Wikidata: Q82128427

Synonyms:4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole;41425-60-9;4-(bromomethyl)-2-phenyltriazole;SCHEMBL1514733;DTXSID70351753;UTQJRGAXADNRCO-UHFFFAOYSA-N;AKOS009246305;FT-0743233;4-bromo-methyl-2-phenyl-2h-1,2,3-triazole;EN300-40322;Z409433648

Chemical Property of 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 236.99016
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2N=CC(=N2)CBr

Technology Process of 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole

There total 3 articles about 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole 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%

2-(2-phenyl-2H-1,2,3-triazole-4-yl)methanol (3359-24-8) → 4-bromomethyl-2-phenyl-2H-1,2,3-triazole (41425-60-9)

Guidance literature:

With phosphorus tribromide; In diethyl ether; for 24h;

DOI:10.1016/j.tetasy.2004.10.020

Reference yield:

2-phenyl-1,2,3-triazole-4-carboxaldehyde (3213-80-7) → 4-bromomethyl-2-phenyl-2H-1,2,3-triazole (41425-60-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / sodium borohydride / methanol / 0.17 h

2: 90 percent / PBr₃ / diethyl ether / 24 h

With sodium tetrahydroborate; phosphorus tribromide; In methanol; diethyl ether;

DOI:10.1016/j.tetasy.2004.10.020

Reference yield:

→ 4-bromomethyl-2-phenyl-2H-1,2,3-triazole (41425-60-9)

Guidance literature:

2-Phenyl-4-hydroxy-methyl-2H-1,2,3-triazol, 48percentig. wss. HBr ;

DOI:10.1021/jo01064a614

upstream raw materials:

2-(2-phenyl-2H-1,2,3-triazole-4-yl)methanol

2-phenyl-1,2,3-triazole-4-carboxaldehyde

Downstream raw materials:

(2-phenyl-2H-[1,2,3]triazol-4-yl)-acetonitrile

(6S)-2-nitro-6-[(2-phenyl-2H-1,2,3-triazol-4-yl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

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