(2,3-Dihydro-1H-pyrrol-1-yl)(phenyl)methanone

Base Information

• Chemical Name: (2,3-Dihydro-1H-pyrrol-1-yl)(phenyl)methanone
• CAS No.: 68471-55-6
• Molecular Formula: C11H11NO
• Molecular Weight: 173.214
• DSSTox Substance ID: DTXSID40456527
• Nikkaji Number: J371.497G
• Wikidata: Q82279075
• Mol file: 68471-55-6.mol

Synonyms:68471-55-6;(2,3-Dihydro-1H-pyrrol-1-yl)(phenyl)methanone;2,3-dihydropyrrol-1-yl(phenyl)methanone;N-benzoyl-2-pyrroline;Benzoylpyrrolin;1H-Pyrrole, 1-benzoyl-2,3-dihydro-;1-Benzoyl-2-pyrroline;DTXSID40456527;1-benzoyl-2,3-dihydro-1H-pyrrole;A915327

Chemical Property of (2,3-Dihydro-1H-pyrrol-1-yl)(phenyl)methanone

Chemical Property:

• PSA: 20.31000
• LogP: 1.98410
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 173.084063974
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

(2,3-Dihydro-1H-pyrrol-1-yl)(phenyl)methanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C=C1)C(=O)C2=CC=CC=C2

Technology Process of (2,3-Dihydro-1H-pyrrol-1-yl)(phenyl)methanone

There total 14 articles about (2,3-Dihydro-1H-pyrrol-1-yl)(phenyl)methanone 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: 77.0%

(2-bromo-phenyl)-(2,3-dihydro-pyrrol-1-yl)-methanone → (2,3-dihydro-1H-pyrrol-1-yl)(phenyl)methanone (68471-55-6) + 1,2,3,9b-tetrahydro-pyrrolo[2,1-a]isoindol-5-one

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tris-(trimethylsilyl)silane; In toluene; at 130 ℃; for 6h;

DOI:10.1055/s-2005-862386

Reference yield: 67.0%

benzoyl chloride (98-88-4) + dodecahydro-3a,6a,9a-triaza-trindene (5981-17-9,64314-29-0) → (2,3-dihydro-1H-pyrrol-1-yl)(phenyl)methanone (68471-55-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In benzene; for 0.333333h; Heating;

DOI:10.1080/00397919808004915

Reference yield: 63.0%

indole (120-72-9) + (2-(4-diazynyl)phenyl)(pyrrolidin-1-yl)methanone tetrafluoroborate → N-(4,4-di(1H-indol-3-yl)butyl)benzamide + (2,3-dihydro-1H-pyrrol-1-yl)(phenyl)methanone (68471-55-6)

Guidance literature:

With eosin y; In dimethyl sulfoxide; at 20 ℃; for 2h; Irradiation;

DOI:10.1002/ejoc.201501149

upstream raw materials:

rac-(2-methoxypyrrolidin-1-yl)(phenyl)methanone

benzoyl chloride

dodecahydro-3a,6a,9a-triaza-trindene

(2-aminophenyl)(pyrrolidin-1-yl)methanone

Downstream raw materials:

n-benzoylpyrrolidine

N-benzoyl-2-pyrrolidinecarbaldehyde

N-benzoylproline

(3-Iodo-2-methoxy-pyrrolidin-1-yl)-phenyl-methanone