3-Chloro-4-(dimethylamino)aniline

Base Information

• Chemical Name: 3-Chloro-4-(dimethylamino)aniline
• CAS No.: 6085-59-2
• Molecular Formula: C8H11 Cl N2
• Molecular Weight: 170.642
• Hs Code.: 2921590090
• DSSTox Substance ID: DTXSID2064107
• Nikkaji Number: J421.793D
• Wikidata: Q81991251
• Mol file: 6085-59-2.mol

Synonyms:6085-59-2;3-Chloro-4-(dimethylamino)aniline;2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;2-Chloro-N1,N1-dimethylbenzene-1,4-diamine;3-Chloro-4-(dimethylamino)benzenamine;2-Chloro-N,N-dimethyl-1,4-benzenediamine;1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl-;(4-amino-2-chlorophenyl)dimethylamine;2-Chloro-N1,N1-dimethyl-1,4-benzenediamine;SCHEMBL2284135;DTXSID2064107;AKOS000102685;N,N-dimethyl-p-phenylenediamine chloride;CS-0250264;FT-0681371;EN300-50275;N-(4-amino-2-chlorophenyl)-N,N-dimethylamine;2-chloro-N~1~,N~1~-dimethylbenzene-1,4-diamine;AE-562/43287013;1,4-benzenediamine, 2-chloro-N~1~,N~1~-dimethyl-;Z270758712;N-(4-amino-2-chlorophenyl)-N,N-dimethylamine, AldrichCPR

Chemical Property of 3-Chloro-4-(dimethylamino)aniline

Chemical Property:

• Vapor Pressure: 0.00621mmHg at 25°C
• Boiling Point: 272.1°Cat760mmHg
• Flash Point: 118.3°C
• PSA: 29.26000
• Density: 1.204g/cm³
• LogP: 2.56940
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.0610761
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-N~1~,N~1~-dimethyl-1,4-benzenediamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chloro-4-(dimethylamino)aniline

There total 7 articles about 3-Chloro-4-(dimethylamino)aniline 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: 99.0%

3-chloro-4-(dimethylamino)nitrobenzene (6213-19-0) → 2-Chloro-N(1),N(1)-dimethyl-benzene-1,4-diamine (6085-59-2)

Guidance literature:

With sodium tetrahydroborate; palladium on activated charcoal; In methanol; at 20 ℃; for 1h;

DOI:10.1002/jlcr.3263

Reference yield:

3-chloro-4-fluoronitrobenzene (350-30-1) → 2-Chloro-N(1),N(1)-dimethyl-benzene-1,4-diamine (6085-59-2)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / dimethylsulfoxide / 18 h / 105 °C

2: Fe; AcOH / ethanol / 0.5 h / Heating

With iron; potassium carbonate; acetic acid; In ethanol; dimethyl sulfoxide;

DOI:10.1021/jm0309957

Reference yield:

N'-acetyl-N,N-dimethyl-1,4-phenylenediamine (7463-28-7) → 2-Chloro-N(1),N(1)-dimethyl-benzene-1,4-diamine (6085-59-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Cl₂ / CHCl₃

2: aq. HCl

With hydrogenchloride; chlorine; In chloroform;

upstream raw materials:

3-chloro-4-(dimethylamino)nitrobenzene

acetic acid-(3-chloro-4-dimethylamino-anilide)

3-chloro-4-fluoronitrobenzene

N,N-Dimethyl-4-nitroaniline