5-Chloro-N1-methylbenzene-1,2-diamine

Base Information

• Chemical Name: 5-Chloro-N1-methylbenzene-1,2-diamine
• CAS No.: 84859-27-8
• Molecular Formula: C7H9ClN2
• Molecular Weight: 156.615
• Hs Code.: 2921590090
• European Community (EC) Number: 969-279-2
• UNII: 422Y66DDY6
• Nikkaji Number: J1.474.441J
• Mol file: 84859-27-8.mol

Synonyms:5-Chloro-N1-methylbenzene-1,2-diamine;84859-27-8;1,2-Benzenediamine, 4-chloro-N2-methyl-;4-chloro-2-N-methylbenzene-1,2-diamine;4-Chloro-N2-methyl-benzene-1,2-diamine;SCHEMBL3075750;BTKCZOYKZRSPOQ-UHFFFAOYSA-N;422Y66DDY6;MFCD17676550;AKOS015891003;5-Chloro-N-methylbenzene-1,2-diamine;4-Chloro-N2-methyl-1,2-benzenediamine;1,2-Benzenediamine 4-chloro-N2-methyl-;DS-16852;C76710;EN300-116752;5-Chloro-N1-methylbenzene-1 pound not2-diamine;A863944;Z1255434053

Chemical Property of 5-Chloro-N1-methylbenzene-1,2-diamine

Chemical Property:

• PSA: 38.05000
• LogP: 2.61810
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 156.0454260
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-N1-methylbenzene-1,2-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C(C=CC(=C1)Cl)N

Technology Process of 5-Chloro-N1-methylbenzene-1,2-diamine

There total 6 articles about 5-Chloro-N1-methylbenzene-1,2-diamine 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: 88.0%

4-chloro-2-methylaminonitrobenzene (35966-84-8) → 5-chloro-N1-methylbenzene-1,2-diamine (84859-27-8)

Guidance literature:

With tin(II) chloride dihdyrate; In ethyl acetate; for 16h; Reflux;

DOI:10.1016/j.ejmech.2021.113455

Reference yield:

2,4-dichloronitrobenzene (611-06-3) → 5-chloro-N1-methylbenzene-1,2-diamine (84859-27-8)

Guidance literature:

Multi-step reaction with 2 steps

1: copper / water / 8 h / 100 °C / Sealed tube

2: hydrogen / ethanol / 3 h / 20 °C / 760.05 Torr

With hydrogen; copper; In ethanol; water;

DOI:10.1016/j.ejmech.2014.03.030

Reference yield:

5-chloro-2-nitroaniline (1635-61-6) → 5-chloro-N1-methylbenzene-1,2-diamine (84859-27-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / tetrahydrofuran; paraffin oil / 0.25 h / 0 °C

1.2: 2 h / 20 °C

2.1: tin(II) chloride dihdyrate / ethyl acetate / 16 h / Reflux

With tin(II) chloride dihdyrate; sodium hydride; In tetrahydrofuran; ethyl acetate; paraffin oil;

DOI:10.1016/j.ejmech.2021.113455

upstream raw materials:

4-chloro-2-methylaminonitrobenzene

hydrogenchloride

3,4-dinitro-chlorobenzene

2,4-dichloronitrobenzene

Downstream raw materials:

acetic acid-[2-(6-chloro-4-methyl-3-oxo-3,4-dihydro-quinoxalin-2-yl)-anilide]

6-Chloro-1-methyl-2-p-tolyl-1H-benzoimidazole

6-chloro-1-methyl-1H-benzimidazole-2-carbonitrile