(2-Chloro-phenyl)-isopropyl-amine

Base Information

• Chemical Name: (2-Chloro-phenyl)-isopropyl-amine
• CAS No.: 78235-07-1
• Molecular Formula: C9H12ClN
• Molecular Weight: 169.654
• DSSTox Substance ID: DTXSID30335039
• Wikidata: Q82101146
• Mol file: 78235-07-1.mol

Synonyms:78235-07-1;(2-chloro-phenyl)-isopropyl-amine;2-chloro-N-propan-2-ylaniline;Benzenamine, 2-chloro-N-(1-methylethyl)-;N-Isopropyl-2-chloroaniline;Aniline, 2-chloro-N-isopropyl-;SCHEMBL3228979;DTXSID30335039;2-chloro-N-(propan-2-yl)aniline;2-CHLORO-N-ISOPROPYLANILINE;AKOS000239029;CS-0277359;C78464;EN300-164250

Chemical Property of (2-Chloro-phenyl)-isopropyl-amine

Chemical Property:

• PSA: 12.03000
• LogP: 3.23330
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 169.0658271
• Heavy Atom Count: 11
• Complexity: 114

Purity/Quality:

99.90% ^*data from raw suppliers

N-Isopropyl-2-chloroaniline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC1=CC=CC=C1Cl

Technology Process of (2-Chloro-phenyl)-isopropyl-amine

There total 3 articles about (2-Chloro-phenyl)-isopropyl-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: 85.0%

N-(4-chlorophenyl)-N-isopropylamine (770-40-1) + 2-Chloronitrobenzene (88-73-3) → N-isopropyl-2-chloroaniline (78235-07-1)

Guidance literature:

In methanol;

Reference yield: 47.0%

o-chloroaniline (95-51-2) + acetone (67-64-1) → N-isopropyl-2-chloroaniline (78235-07-1)

Guidance literature:

With sodium tetrahydroborate; acetic acid; at 0 - 20 ℃; for 12h;

DOI:10.1002/anie.201710520

Reference yield:

→ N-isopropyl-2-chloroaniline (78235-07-1)

Guidance literature:

upstream raw materials:

N-(4-chlorophenyl)-N-isopropylamine

2-Chloronitrobenzene

o-chloroaniline

acetone

Downstream raw materials:

C₁₀H₁₁Cl₂NO