2-(2-Chlorophenyl)pyrrolidine

Base Information

• Chemical Name: 2-(2-Chlorophenyl)pyrrolidine
• CAS No.: 129540-21-2
• Molecular Formula: C10H12ClN
• Molecular Weight: 181.665
• Hs Code.: 2933998090
• European Community (EC) Number: 675-427-4
• DSSTox Substance ID: DTXSID40395482
• Mol file: 129540-21-2.mol

Synonyms:2-(2-Chlorophenyl)pyrrolidine;129540-21-2;2-(2-chloro-phenyl)-pyrrolidine;Pyrrolidine, 2-(2-chlorophenyl)-;2-(2-chlorophenyl)-pyrrolidine;SCHEMBL839757;DTXSID40395482;AFXDPDJNNABZGP-UHFFFAOYSA-N;* 2-(2-chlorophenyl)pyrrolidine;AB1344;BBL022426;MFCD02089473;STK352018;AKOS000156567;AKOS016343669;SB32669;SB46803;(RS)-2-(2-chloro-phenyl)-pyrrolidine;AC-24297;AS-44565;(+/-)-2-(2-chloro-phenyl)-pyrrolidine;2-(2-chlorophenyl)pyrrolidine, AldrichCPR;BB 0249583;CS-0156669;FT-0649883;EN300-49797;A26409;Z281773778

Chemical Property of 2-(2-Chlorophenyl)pyrrolidine

Chemical Property:

• Appearance/Colour: white to beige crystals or crystalline powder
• Vapor Pressure: 0.0176mmHg at 25°C
• Refractive Index: 1.548
• Boiling Point: 254.1 °C at 760 mmHg
• PKA: 9.45±0.10(Predicted)
• Flash Point: 107.5 °C
• PSA: 12.03000
• Density: 1.129 g/cm³
• LogP: 3.09330
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 181.0658271
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

2-(2-Chlorophenyl)pyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(2-Chlorophenyl)pyrrolidine

There total 5 articles about 2-(2-Chlorophenyl)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: 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:

1-[2-(2-chlorophenyl)-1-pyrrolidinyl]-2,2,2-trifluoro-ethanone → 2-(2-chlorophenyl)pyrrolidine (129540-21-2)

Guidance literature:

With potassium hydroxide; In methanol; at 0 - 20 ℃; for 12.1667h; Sealed tube; Inert atmosphere;

DOI:10.1016/j.chempr.2020.02.002

Reference yield:

ethyl 2-chlorobenzoate (7335-25-3) → 2-(2-chlorophenyl)pyrrolidine (129540-21-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaH

2: 86 percent / NaBH₄

With sodium tetrahydroborate; sodium hydride;

DOI:10.1021/jm00172a018

upstream raw materials:

2-(2-chlorophenyl)-1-pyrroline

1-ethenyl-2-pyrrolidinone

ethyl 2-chlorobenzoate

Downstream raw materials:

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

2-(2-chloro-phenyl)-pyrrolidine-1-carboxylic acid-tert-butyl ester