[1-(4-Chloro-phenyl)-2-pyrrolidin-1-yl-ethyl]-methyl-amine

Base Information

• Chemical Name: [1-(4-Chloro-phenyl)-2-pyrrolidin-1-yl-ethyl]-methyl-amine
• CAS No.: 170119-33-2
• Molecular Formula: C13H19 Cl N2
• Molecular Weight: 238.76
• DSSTox Substance ID: DTXSID60374052
• Mol file: 170119-33-2.mol

Synonyms:170119-33-2;[1-(4-Chloro-phenyl)-2-pyrrolidin-1-yl-ethyl]-methyl-amine;1-(4-chlorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;1-(4-CHLOROPHENYL)-N-METHYL-2-(PYRROLIDIN-1-YL)ETHANAMINE;1-(4-Chlorophenyl)-N-methyl-2-(pyrrolidin-1-yl)ethan-1-amine;SCHEMBL9130649;DTXSID60374052;AB14893;CS-0357827;FT-0655841;a-4-Chlorophenyl-N-methyl-1-pyrrolidineethanamine;Q-102849;2-(4-chlorophenyl)-3-(pyrrolidin-1-yl)propan-1-amine;[1-(4-CHLOROPHENYL)-2-(PYRROLIDIN-1-YL)ETHYL](METHYL)AMINE

Chemical Property of [1-(4-Chloro-phenyl)-2-pyrrolidin-1-yl-ethyl]-methyl-amine

Chemical Property:

• Vapor Pressure: 0.000174mmHg at 25°C
• Refractive Index: 1.551
• Boiling Point: 329.8°C at 760 mmHg
• Flash Point: 153.2°C
• PSA: 15.27000
• Density: 1.104g/cm³
• LogP: 3.02510
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 238.1236763
• Heavy Atom Count: 16
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Chlorophenyl)-N-methyl-2-(pyrrolidin-1-yl)ethanamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(CN1CCCC1)C2=CC=C(C=C2)Cl

Technology Process of [1-(4-Chloro-phenyl)-2-pyrrolidin-1-yl-ethyl]-methyl-amine

There total 5 articles about [1-(4-Chloro-phenyl)-2-pyrrolidin-1-yl-ethyl]-methyl-amine 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: 88.0%

[1-(4-Chloro-phenyl)-2-oxo-2-pyrrolidin-1-yl-ethyl]-carbamic acid methyl ester (170119-40-1) → [1-(4-Chloro-phenyl)-2-pyrrolidin-1-yl-ethyl]-methyl-amine (170119-33-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; Heating;

DOI:10.1016/0223-5234(96)88263-8

Reference yield:

5-(p-chlorophenyl)hydantoin (6212-32-4) → [1-(4-Chloro-phenyl)-2-pyrrolidin-1-yl-ethyl]-methyl-amine (170119-33-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 70.3 percent / 10percent aq. NaOH / 24 h / Heating

2: 76.8 percent / 4N NaOH / 0.33 h / Ambient temperature

3: 1.) N,N'-carbonyldiimidazole / 1.) DMF, 40-45 deg C, 10 min, 2.) DMF, 20 deg C, 30 min

4: 88 percent / LAH / diethyl ether / Heating

With sodium hydroxide; lithium aluminium tetrahydride; 1,1'-carbonyldiimidazole; In diethyl ether;

DOI:10.1016/0223-5234(96)88263-8

Reference yield:

2-(4-Chlorophenyl)glycine (6212-33-5,7292-70-8) → [1-(4-Chloro-phenyl)-2-pyrrolidin-1-yl-ethyl]-methyl-amine (170119-33-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 76.8 percent / 4N NaOH / 0.33 h / Ambient temperature

2: 1.) N,N'-carbonyldiimidazole / 1.) DMF, 40-45 deg C, 10 min, 2.) DMF, 20 deg C, 30 min

3: 88 percent / LAH / diethyl ether / Heating

With sodium hydroxide; lithium aluminium tetrahydride; 1,1'-carbonyldiimidazole; In diethyl ether;

DOI:10.1016/0223-5234(96)88263-8

upstream raw materials:

[1-(4-Chloro-phenyl)-2-oxo-2-pyrrolidin-1-yl-ethyl]-carbamic acid methyl ester

5-(p-chlorophenyl)hydantoin

2-(4-Chlorophenyl)glycine

4-chlorobenzaldehyde

Downstream raw materials:

Acetic acid {[1-(4-chloro-phenyl)-2-pyrrolidin-1-yl-ethyl]-methyl-carbamoyl}-(3,4-dichloro-phenyl)-methyl ester