2-Chloro-6-isopropylaniline

Base Information

• Chemical Name: 2-Chloro-6-isopropylaniline
• CAS No.: 112121-86-5
• Molecular Formula: C9H12ClN
• DSSTox Substance ID: DTXSID101286278
• Mol file: 112121-86-5.mol

Synonyms:2-chloro-6-isopropylaniline;112121-86-5;2-chloro-6-propan-2-ylaniline;2-Chloro-6-(1-methylethyl)benzenamine;Benzenamine,2-chloro-6-(1-methylethyl)-;2-chloro-6-isopropyl aniline;SCHEMBL3786158;CWTJQUNXOVZQJF-UHFFFAOYSA-N;DTXSID101286278;MFCD20696451;BS-52865;SY345953;CS-0529713;F77533

Chemical Property of 2-Chloro-6-isopropylaniline

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 169.0658271
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Chloro-6-isopropylaniline

There total 4 articles about 2-Chloro-6-isopropylaniline 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: 91.0%

2-chloro-6-(prop-1-en-2-yl)aniline (857594-97-9) → 2-chloro-6-isopropyl aniline (112121-86-5)

Guidance literature:

With platinum on carbon; hydrogen; In methanol; at 20 ℃; for 16h;

Reference yield: 66.0%

2-isopropylaniline (643-28-7) → 2-chloro-6-isopropyl aniline (112121-86-5)

Guidance literature:

With N-chloro-succinimide; 1-(3,5-bis(trifluoromethyl)phenyl)-3-((1S,2S)-2-(mesitylselanyl)-2,3-dihydro-1H-inden-1-yl)thiourea; In chloroform-d1; at 0 ℃; for 12h; regioselective reaction;

DOI:10.1021/acs.joc.0c01917

Reference yield:

2-isopropylaniline (643-28-7) → 4-chloro-2-isopropylaniline (76842-14-3) + 2-chloro-6-isopropyl aniline (112121-86-5)

Guidance literature:

With N-chloro-succinimide; In chloroform-d1; at 0 ℃; for 12h;

DOI:10.1021/acs.joc.0c01917

upstream raw materials:

2-isopropylaniline

2-bromo-6-chloroaniline

2-chloro-6-(prop-1-en-2-yl)aniline