5-(2-Chlorophenyl)-3,4-dihydro-2H-pyrrole

Base Information

• Chemical Name: 5-(2-Chlorophenyl)-3,4-dihydro-2H-pyrrole
• CAS No.: 129540-25-6
• Molecular Formula: C10H10ClN
• Molecular Weight: 179.649
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60563606
• Wikidata: Q82448079
• Mol file: 129540-25-6.mol

Synonyms:5-(2-CHLOROPHENYL)-3,4-DIHYDRO-2H-PYRROLE;129540-25-6;MFCD09037875;2H-Pyrrole, 5-(2-chlorophenyl)-3,4-dihydro-;AB2775;SCHEMBL5768732;DTXSID60563606;LRSMQEJORMBCBW-UHFFFAOYSA-N;AKOS006332095;SY243624;5-(2-chloro-phenyl)-3,4-dihydro-2H-pyrrole;A805949

Chemical Property of 5-(2-Chlorophenyl)-3,4-dihydro-2H-pyrrole

Chemical Property:

• PSA: 12.36000
• LogP: 2.35850
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 179.0501770
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

5-(2-Chlorophenyl)-3,4-dihydro-2H-pyrrole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=NC1)C2=CC=CC=C2Cl

Technology Process of 5-(2-Chlorophenyl)-3,4-dihydro-2H-pyrrole

There total 1 articles about 5-(2-Chlorophenyl)-3,4-dihydro-2H-pyrrole 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:

1-ethenyl-2-pyrrolidinone (88-12-0) + ethyl 2-chlorobenzoate (7335-25-3) → 2-(2-chlorophenyl)-1-pyrroline (129540-25-6)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction;

DOI:10.1021/jm00172a018

Reference yield: 86.0%

2-(2-chlorophenyl)-1-pyrroline (129540-25-6) → 2-(2-chlorophenyl)pyrrolidine (129540-21-2)

Guidance literature:

With sodium tetrahydroborate;

DOI:10.1021/jm00172a018

Reference yield: 72.0%

2-(2-chlorophenyl)-1-pyrroline (129540-25-6) → (S)-2-(2-chlorophenyl)pyrrolidine (1217788-99-2)

Guidance literature:

With hydrogenchloride; 2,3,4,5,6-pentahydroxy-hexanal; nicotinamide adenine dinucleotide phosphate; In aq. phosphate buffer; water; dimethyl sulfoxide; at 30 ℃; for 24h; pH=7; enantioselective reaction; Enzymatic reaction;

DOI:10.1021/acs.orglett.0c00802

upstream raw materials:

1-ethenyl-2-pyrrolidinone

ethyl 2-chlorobenzoate

Downstream raw materials:

2-(2-chlorophenyl)pyrrolidine

1-[2-(2-Chloro-phenyl)-pyrrolidin-1-yl]-2-hydroxy-2-(4-methylsulfanyl-phenyl)-ethanone

trans-10-chloro-1,2,3,5,6,10b-hexahydro-6-<4-(methylthio)phenyl>pyrrolo<2,1-a>isoquinoline

cis-10-chloro-1,2,3,5,6,10b-hexahydro-6-<4-(methylthio)phenyl>pyrrolo<2,1-a>isoquinoline