2-chloro-N-methyl-5-nitroaniline

Base Information

• Chemical Name: 2-chloro-N-methyl-5-nitroaniline
• CAS No.: 101513-60-4
• Molecular Formula: C7H7ClN2O2
• Molecular Weight: 186.598
• DSSTox Substance ID: DTXSID20395506
• Nikkaji Number: J1.743.978B
• Wikidata: Q82195633
• Mol file: 101513-60-4.mol

Synonyms:2-chloro-N-methyl-5-nitroaniline;101513-60-4;2-chloro-N-methyl-5-nitrobenzenamine;(2-chloro-5-nitro-phenyl)-methyl-amine;SCHEMBL4361693;DTXSID20395506;COAVDUBTKDZPLC-UHFFFAOYSA-N;N-Methyl-2-chloro-5-nitroaniline;STL367695;AKOS000447129;D88187;EN300-1254571;J-509149

Chemical Property of 2-chloro-N-methyl-5-nitroaniline

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 186.0196052
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Technology Process of 2-chloro-N-methyl-5-nitroaniline

There total 5 articles about 2-chloro-N-methyl-5-nitroaniline 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: 16.0%

H2NC6H3(Cl)NO2 (6283-25-6) + methyl iodide (74-88-4) → 2-chloro-N-methyl-5-nitro-aniline (101513-60-4)

Guidance literature:

With sodium carbonate; In ethanol; for 16h; Heating;

Reference yield:

→ 2-chloro-N-methyl-5-nitro-aniline (101513-60-4)

Guidance literature:

With sulfuric acid; at 140 ℃;

Reference yield:

toluene-4-sulfonic acid-(2-chloro-5-nitro-anilide) (346695-24-7) → 2-chloro-N-methyl-5-nitro-aniline (101513-60-4)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / acetone

2: hydrolysis

With potassium carbonate; In acetone;

DOI:10.1039/b109725c

upstream raw materials:

H₂NC₆H₃(Cl)NO₂

dimethyl sulfate

methyl iodide

toluene-4-sulfonic acid-(2-chloro-N-methyl-5-nitro-anilide)

Downstream raw materials:

2,2'-dichloro-N-methyl-5'-nitroacetanilide

4'-acetamino-2-methylamino-4-n-propylamino-diphenylsulfone

4'-amino-2-methylamino-4-nitro-diphenylsulfone

4'-acetamino-4-amino-2-methylamino-diphenylsulfone