1-(4-Fluorobenzoyl)pyrrolidine

Base Information

• Chemical Name: 1-(4-Fluorobenzoyl)pyrrolidine
• CAS No.: 349644-07-1
• Molecular Formula: C11H12FNO
• Molecular Weight: 193.22
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID40359504
• Nikkaji Number: J1.622.929F
• Wikidata: Q82140737
• Mol file: 349644-07-1.mol

Synonyms:349644-07-1;1-(4-FLUOROBENZOYL)PYRROLIDINE;(4-Fluorophenyl)(pyrrolidin-1-yl)methanone;(4-fluorophenyl)-pyrrolidin-1-ylmethanone;DTXSID40359504;MFCD00465428;AKOS003410875;AM86891;BS-22631;1-(4-Fluorobenzoyl)pyrrolidine, AldrichCPR;CS-0211894;N11675;A874809;AG-205/03202057;Z31480227

Chemical Property of 1-(4-Fluorobenzoyl)pyrrolidine

Chemical Property:

• Vapor Pressure: 5.21E-05mmHg at 25°C
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 193.090292168
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

(4-Fluorophenyl)(pyrrolidin-1-yl)methanone 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C(=O)C2=CC=C(C=C2)F

Technology Process of 1-(4-Fluorobenzoyl)pyrrolidine

There total 3 articles about 1-(4-Fluorobenzoyl)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: 59.0%

pyrrolidine (123-75-1) + 4-Fluorobenzoic acid (456-22-4) → (4-fluorophenyl)(pyrrolidin-1-yl)methanone (349644-07-1)

Guidance literature:

With hydrotalcite tetrahydrate; benzotriazol-1-ol; N-[3-(N,N-dimethylamino)-propyl]-N'-ethyl-carbodiimide hydrochloride; In dichloromethane; at 0 - 20 ℃; for 17h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.2c01041

Reference yield:

pyrrolidine (123-75-1) + 4-fluorobenzylic alcohol (459-56-3) → (4-fluorophenyl)(pyrrolidin-1-yl)methanone (349644-07-1)

Guidance literature:

With caesium carbonate; In toluene; for 24h; Reflux; Inert atmosphere;

DOI:10.1002/chem.200901896

Reference yield:

→ (4-fluorophenyl)(pyrrolidin-1-yl)methanone (349644-07-1)

Guidance literature:

upstream raw materials:

pyrrolidine

4-fluorobenzylic alcohol

4-Fluorobenzoic acid

Downstream raw materials:

(2,3-dihydro-1H-pyrrol-1-yl)(4-fluorophenyl)methanone

1-(4-fluorophenyl)-1-heptanone

(E)-(4-fluoro-2-(prop-1-en-1-yl)phenyl)(pyrrolidin-1-yl)methanone