1-[(4-BroMo-3-fluorophenyl)carbonyl]pyrrolidine

Base Information

• Chemical Name: 1-[(4-BroMo-3-fluorophenyl)carbonyl]pyrrolidine
• CAS No.: 1022931-81-2
• Molecular Formula: C11H11BrFNO
• Molecular Weight: 272.117
• Mol file: 1022931-81-2.mol

Synonyms:1-[(4-BroMo-3-fluorophenyl)carbonyl]pyrrolidine;(4-BroMo-3-fluorophenyl)(pyrrolidin-1-yl)Methanone

Chemical Property of 1-[(4-BroMo-3-fluorophenyl)carbonyl]pyrrolidine

Chemical Property:

• Boiling Point: 371.8±32.0 °C(Predicted)
• PKA: -1.97±0.20(Predicted)
• PSA: 20.31000
• Density: 1.535±0.06 g/cm3(Predicted)
• LogP: 2.76210

Purity/Quality:

97% ^*data from raw suppliers

1-[(4-Bromo-3-fluorophenyl)carbonyl]pyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-[(4-BroMo-3-fluorophenyl)carbonyl]pyrrolidine

There total 1 articles about 1-[(4-BroMo-3-fluorophenyl)carbonyl]pyrrolidine 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: 90.5%

pyrrolidine (123-75-1) + 4-bromo-3-fluorobenzoic acid (153556-42-4) → (4-bromo-3-fluorophenyl)(pyrrolidin-1-yl)methanone (1022931-81-2)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In acetonitrile; at 70 ℃; for 2h;

DOI:10.1021/op100267p

Reference yield: 45.0%

Triisopropyl borate (5419-55-6) + (4-bromo-3-fluorophenyl)(pyrrolidin-1-yl)methanone (1022931-81-2) → C17H25BFNO3 (1264616-07-0) + C23H38B2FNO5 (1264616-09-2)

Guidance literature:

(4-bromo-3-fluorophenyl)(pyrrolidin-1-yl)methanone; With n-BuLi or LDA or i-PrMgCl;

Triisopropyl borate;

DOI:10.1021/op100267p

Reference yield: 11.0%

(4-bromo-3-fluorophenyl)(pyrrolidin-1-yl)methanone (1022931-81-2) + 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole (890005-22-8,35179-55-6) → 1-[2-fluoro-4-(1-pyrrolidinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole (1057662-49-3)

Guidance literature:

With potassium carbonate; copper(l) iodide; dimethylaminoacetic acid; In dimethyl sulfoxide; at 190 ℃; for 1h; microwave irradiation;

upstream raw materials:

pyrrolidine

4-bromo-3-fluorobenzoic acid

Downstream raw materials:

1-[2-fluoro-4-(1-pyrrolidinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

1-[2-fluoro-4-(1-pyrrolidinylcarbonyl)phenyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

C₁₁H₁₃BFNO₃

C₁₇H₂₅BFNO₃