1,3-Benzenediamine, 4-[2-(4-methylphenyl)diazenyl]-

Base Information

• Chemical Name: 1,3-Benzenediamine, 4-[2-(4-methylphenyl)diazenyl]-
• CAS No.: 18371-08-9
• Molecular Formula: C₁₃H₁₄N₄
• Molecular Weight: 226.281
• DSSTox Substance ID: DTXSID201038329
• Nikkaji Number: J430.157I

Synonyms:SCHEMBL9999811;DTXSID201038329;18371-08-9;1,3-Benzenediamine, 4-[2-(4-methylphenyl)diazenyl]-

Chemical Property of 1,3-Benzenediamine, 4-[2-(4-methylphenyl)diazenyl]-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 226.121846464
• Heavy Atom Count: 17
• Complexity: 258

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N)N

Technology Process of 1,3-Benzenediamine, 4-[2-(4-methylphenyl)diazenyl]-

There total 2 articles about 1,3-Benzenediamine, 4-[2-(4-methylphenyl)diazenyl]- 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:

p-toluidine (106-49-0,12221-03-3) + m-phenylenediamine (108-45-2,64554-26-3,76583-20-5) → intermed. of 2 (18371-08-9)

Guidance literature:

With hydrogenchloride; sodium nitrite; Yield given. Multistep reaction; 1. H₂O, 0 deg C; 2. 0 deg C, 2 h;

Reference yield:

→ intermed. of 2 (18371-08-9)

Guidance literature:

1,3-Diaminobenzol, 4-Methylbenzoldiazoniumsalz;

Reference yield: 100.0%

intermed. of 2 (18371-08-9) + chloroformic acid ethyl ester (541-41-3) → (3-Ethoxycarbonylamino-4-p-tolylazo-phenyl)-carbamic acid ethyl ester (75953-42-3)

Guidance literature:

With pyridine; 1. 0 deg C, 2 h; 2. room temperature, 20 h;

upstream raw materials:

p-toluidine

m-phenylenediamine

Downstream raw materials:

2-(p-Tolyl)-5-amino-benzzotriazol

(3-Ethoxycarbonylamino-4-p-tolylazo-phenyl)-carbamic acid ethyl ester

6-Amino-2-p-tolyl-2H-benzo[1,2,4]triazin-3-one

C₂₁H₁₄N₄O₄

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