2-(3-Chlorophenyl)propan-2-amine

Base Information

• Chemical Name: 2-(3-Chlorophenyl)propan-2-amine
• CAS No.: 17790-50-0
• Molecular Formula: C9H13Cl2N
• Molecular Weight: 169.654
• Hs Code.: 2921499090
• European Community (EC) Number: 831-489-6
• Mol file: 17790-50-0.mol

Synonyms:2-(3-chlorophenyl)propan-2-amine;17790-50-0;3-chlorocumylamine;SCHEMBL1859294;AMY4652;RJFOLCUYDLFKFW-UHFFFAOYSA-N;MFCD09904108;AKOS009996797;1-Methyl-1-(3-chlorophenyl)ethylamine;AB54659;3-chloro-alpha,alpha-dimethylbenzylamine;alpha,alpha-dimethyl-3-chlorobenzylamine;BS-21835;CS-0448740;EN300-82022;1-(3-CHLOROPHENYL)-1-METHYLETHYLAMINE;N11139;Benzenemethanamine, 3-chloro-alpha,alpha-dimethyl-;Z449374238

Chemical Property of 2-(3-Chlorophenyl)propan-2-amine

Chemical Property:

• Boiling Point: 227.0±15.0 °C(Predicted)
• PKA: 9.05±0.10(Predicted)
• PSA: 26.02000
• Density: 1.092±0.06 g/cm3(Predicted)
• LogP: 3.23410
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 169.0658271
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

98%min ^*data from raw suppliers

2-(3-Chlorophenyl)propan-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC(=CC=C1)Cl)N
• Uses: 2-(3-Chlorophenyl)propan-2-amine is used as a reagent in the synthesis of alkoxycarbonyl(aryl)dihydropyrrolone derivatives which have herbicidal activity.

Technology Process of 2-(3-Chlorophenyl)propan-2-amine

There total 8 articles about 2-(3-Chlorophenyl)propan-2-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:

C9H10ClN3 → α,α-dimethyl-3-chlorobenzylamine (17790-50-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/jacs.9b03375

Reference yield:

5-(2-Aminoprop-2-yl)-2-isopropylchlorbenzol (17797-13-6) → α,α-dimethyl-3-chlorobenzylamine (17790-50-0)

Guidance literature:

With hydrogenchloride; aluminium trichloride; In toluene;

DOI:10.1021/jo01276a047

Reference yield:

2-(3-chlorophenyl)propan-2-ol (31002-87-6) → α,α-dimethyl-3-chlorobenzylamine (17790-50-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) SOCl₂; 2.) HCl gas, 3.) ZnCl₂ / 1.) pyridine

2: 8N hydrochloric acid / H₂O / 70-80 deg C, 0.5 h; reflux, 0.5 h

With hydrogenchloride; thionyl chloride; zinc(II) chloride; In water;

upstream raw materials:

5-(2-Aminoprop-2-yl)-2-isopropylchlorbenzol

m-chloro-α,α-dimethylbenzyl isocyanate

2-(3-chlorophenyl)propan-2-ol

3'-Chloroacetophenone

Downstream raw materials:

2,2'-Di-(m-chlor-phenyl)-<2,2'>azopropan

2-(2,5-dichlorophenyl)propan-2-amine

1-[1-(3-chloro-phenyl)-1-methyl-ethyl]-3-(2-fluoro-phenyl)-4-methyl-pyrrole-2,5-dione

2-Benzo[d]isoxazol-3-yl-N-[1-(3-chloro-phenyl)-1-methyl-ethyl]-acetamide

Refernces

• 1、 Kapoor, Mohit,Chand-Thakuri, Pratibha,Young, Michael C.. "Carbon Dioxide-Mediated C(sp2)-H Arylation of Primary and Secondary Benzylamines". . p. 7980 - 7989. Retrieved 2019/05/22.
• 2、 Sato, Kazuo,Honma, Toyokuni,Sugai, Soji. "Synthesis and Herbicidal Activities of 1,2-Benzisoxazole-3-acetamide Derivatives". . p. 3563 - 3568. Retrieved 2007/10/02.