2-(2H-1,2,3-triazol-2-yl)-5-Methyl-benzoyl chloride

Base Information

• Chemical Name: 2-(2H-1,2,3-triazol-2-yl)-5-Methyl-benzoyl chloride
• CAS No.: 1104546-96-4
• Molecular Formula: C10H8ClN3O
• Molecular Weight: 221.646
• Mol file: 1104546-96-4.mol

Synonyms:2-(2H-1,2,3-triazol-2-yl)-5-Methyl-benzoyl chloride;5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl chloride

Chemical Property of 2-(2H-1,2,3-triazol-2-yl)-5-Methyl-benzoyl chloride

Chemical Property:

• PSA: 47.78000
• LogP: 1.95470

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(2H-1,2,3-triazol-2-yl)-5-Methyl-benzoyl chloride

There total 2 articles about 2-(2H-1,2,3-triazol-2-yl)-5-Methyl-benzoyl chloride 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:

2-(2H-1,2,3-triazol-2-yl)-5-methylbenzoic acid (956317-36-5) → 5-methyl-2-(2Η-1,2,3-triazol-2-yl)benzoyl chloride (1104546-96-4)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 - 20 ℃;

Reference yield:

2-iodoyl-5-methylbenzoic acid (52548-14-8) → 5-methyl-2-(2Η-1,2,3-triazol-2-yl)benzoyl chloride (1104546-96-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / tetrahydrofuran; water / 3 h / 22 - 25 °C / Inert atmosphere

1.2: 19 h / 21 - 23 °C / Inert atmosphere

2.1: oxalyl dichloride / Isopropyl acetate; N,N-dimethyl-formamide / 3 h / 20 - 25 °C / Inert atmosphere

With oxalyl dichloride; potassium carbonate; In tetrahydrofuran; Isopropyl acetate; water; N,N-dimethyl-formamide;

DOI:10.1021/ol3014123

Reference yield: 96.7%

tert-butyl hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate (141449-85-6) + 5-methyl-2-(2Η-1,2,3-triazol-2-yl)benzoyl chloride (1104546-96-4) → 5-(5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid tert-butyl ester

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 12h; Cooling with ice;

upstream raw materials:

2-(2H-1,2,3-triazol-2-yl)-5-methylbenzoic acid

2-iodoyl-5-methylbenzoic acid

Downstream raw materials:

5-fluoro-2-(((3R,6R)-1-(2-iodo-5-methyl-benzoyl)-6-methyl-piperidin-3-yl)methoxy)pyridine

{(3R,6R)-6-methyl-1-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]piperidin-3-yl}methanol

Suvorexant

tert-butyl 2-{ethyl-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]amino}ethylcarbamate