2-Chloro-2-phenylethanamine

Base Information

• Chemical Name: 2-Chloro-2-phenylethanamine
• CAS No.: 4633-92-5
• Molecular Formula: C8H10 Cl N
• Molecular Weight: 155.627
• Hs Code.: 2921499090
• NSC Number: 173141
• Mol file: 4633-92-5.mol

Synonyms:2'-chlorophenethylamine;beta-chlorophenethylamine

Chemical Property of 2-Chloro-2-phenylethanamine

Chemical Property:

• Vapor Pressure: 0.0784mmHg at 25°C
• Boiling Point: 227.2°Cat760mmHg
• Flash Point: 91.2°C
• PSA: 26.02000
• Density: 1.127g/cm³
• LogP: 2.62550
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 155.0501770
• Heavy Atom Count: 10
• Complexity: 89.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CN)Cl

Technology Process of 2-Chloro-2-phenylethanamine

There total 10 articles about 2-Chloro-2-phenylethanamine 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: 75.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → β-chloro-phenethylamine (4633-92-5)

Guidance literature:

With O-pivaloylhydroxylamine trifluoromethanesulfonate salt; iron(II) diacetylacetonate; sodium chloride; In methanol; dichloromethane; at 20 ℃; for 16h; regioselective reaction;

DOI:10.1126/science.aat3863

Reference yield:

N-<α-Chlor-phenaethyl>-amidophosphorsaeure-diaethylester (18368-12-2) → β-chloro-phenethylamine (4633-92-5)

Guidance literature:

With hydrogenchloride; In benzene;

DOI:10.1016/S0040-4020(01)92932-1

Reference yield:

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → β-chloro-phenethylamine (4633-92-5)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene

2: aq. HCl / benzene

With hydrogenchloride; In benzene;

DOI:10.1016/S0040-4020(01)92932-1

upstream raw materials:

2-phenylaziridine

N-<α-Chlor-phenaethyl>-amidophosphorsaeure-diaethylester

hydrogenchloride

styrene

Downstream raw materials:

oxytriphine

2-phenylaziridine

N-(2-Chloro-2-phenylethyl)benzamide

Refernces

• 1、 NISHIMURA,TAKAMATSU. "STUDIES ON PHENYLALKANETHIOLAMINE. I. SYNTHESES OF 1-PHENYL-2(OR". . p. 797 - 805. Retrieved 2007/10/04.