(2,5-dihydro-1H-pyrrol-1-yl)(phenyl)methanone

Base Information

• Chemical Name: (2,5-dihydro-1H-pyrrol-1-yl)(phenyl)methanone
• CAS No.: 15431-85-3
• Molecular Formula: C11H11NO
• Molecular Weight: 173.214
• DSSTox Substance ID: DTXSID40460104
• Nikkaji Number: J371.494B
• Wikidata: Q82284017
• Mol file: 15431-85-3.mol

Synonyms:15431-85-3;(2,5-dihydro-1H-pyrrol-1-yl)(phenyl)methanone;2,5-dihydropyrrol-1-yl(phenyl)methanone;1-benzoyl-2,5-dihydro-1H-pyrrole;1-benzoyl-3-pyrroline;1H-Pyrrole, 1-benzoyl-2,5-dihydro-;n-benzoyl-3-pyrroline;1-benzoyl-2,5-dihydropyrrole;SCHEMBL3344788;1-Benzoyl-2,5-dihydro-pyrrole;DTXSID40460104;KUGDOHYKOXCGOR-UHFFFAOYSA-N;CS-0447353;FT-0717936;A921625

Chemical Property of (2,5-dihydro-1H-pyrrol-1-yl)(phenyl)methanone

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 173.084063974
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCN1C(=O)C2=CC=CC=C2

Technology Process of (2,5-dihydro-1H-pyrrol-1-yl)(phenyl)methanone

There total 11 articles about (2,5-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: 100.0%

N,N-diallylbenzamide (10283-70-2) → 1-benzoyl-2,5-dihydropyrrole (15431-85-3)

Guidance literature:

With fluorous Grubbs-Hoveyda metathesis catalyst supported on Teflon powder; In N,N-dimethyl-formamide; at 20 ℃; for 1h; Inert atmosphere; Green chemistry;

DOI:10.1016/j.tetlet.2015.01.097

Reference yield: 99.0%

→ 1-benzoyl-2,5-dihydropyrrole (15431-85-3)

Guidance literature:

Reference yield: 83.0%

N,N-diallylbenzamide (10283-70-2) → N-benzoylpyrrole (5145-65-3) + 1-benzoyl-2,5-dihydropyrrole (15431-85-3)

Guidance literature:

With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; copper(II) choride dihydrate; oxygen; In toluene; at 110 ℃; for 24h; under 760.051 Torr; Reagent/catalyst;

DOI:10.1055/s-0039-1690002

upstream raw materials:

N,N-diallylbenzamide

cis-1,4-dibromo-2-butene

benzamide

N-(buta-2,3-dien-1-yl)benzamide

Downstream raw materials:

n-benzoylpyrrolidine

N-benzoyl-2-pyrrolidinecarbaldehyde

N-benzoylproline