3,3'-Dicarbomethoxybenzidine

Base Information

• Chemical Name: 3,3'-Dicarbomethoxybenzidine
• CAS No.: 15403-45-9
• Molecular Formula: C16H16 N2 O4
• Molecular Weight: 300.314
• Hs Code.: 2922499990
• UNII: 53P5SJ0Y2D
• DSSTox Substance ID: DTXSID9036852
• Nikkaji Number: J340.357B
• Wikidata: Q27894624
• Mol file: 15403-45-9.mol

Synonyms:3,3'-Dicarbomethoxybenzidine;15403-45-9;methyl 2-amino-5-(4-amino-3-methoxycarbonylphenyl)benzoate;53P5SJ0Y2D;CCRIS 6583;BRN 2760702;Dimethyl 4,4'-diamino-(1,1'-biphenyl)-3,3'-dicarboxylate;(1,1'-Biphenyl)-3,3'-dicarboxylic acid, 4,4'-diamino-, dimethyl ester;UNII-53P5SJ0Y2D;SCHEMBL7529190;DTXSID9036852;Q27894624

Chemical Property of 3,3'-Dicarbomethoxybenzidine

Chemical Property:

• Vapor Pressure: 2.51E-09mmHg at 25°C
• Melting Point: 201-202 °C
• Boiling Point: 478.7°Cat760mmHg
• PKA: 2.24±0.10(Predicted)
• Flash Point: 217.1°C
• PSA: 104.64000
• Density: 1.277g/cm³
• LogP: 3.25360
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 300.11100700
• Heavy Atom Count: 22
• Complexity: 377

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C(=O)OC)N

Technology Process of 3,3'-Dicarbomethoxybenzidine

There total 2 articles about 3,3'-Dicarbomethoxybenzidine 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: 22.0%

methanol (67-56-1) + 3,3'-dicarboxy-4,4'-diaminobiphenyl (2130-56-5) → Dimethyl 4,4'-diamino-3,3'-biphenylylenedicarboxylate (15403-45-9)

Guidance literature:

With sulfuric acid; for 48h; Heating;

DOI:10.1016/0165-1218(93)90027-B

Reference yield:

→ Dimethyl 4,4'-diamino-3,3'-biphenylylenedicarboxylate (15403-45-9)

Guidance literature:

Benzidin-3,3'-dicarbonsaeure, CH3OH, H2SO4;

Reference yield: 74.0%

Dimethyl 4,4'-diamino-3,3'-biphenylylenedicarboxylate (15403-45-9) + methyl N-phenyldithiocarbamate (701-73-5) → 3,3'-Diphenyl-4,4'-dioxo-2,2'-dithioxo-1,1',2,2',3,3',4,4'-octahydro-6,6'-biquinazoline (22453-86-7)

Guidance literature:

In N,N-dimethyl-formamide; Heating;

upstream raw materials:

methanol

3,3'-dicarboxy-4,4'-diaminobiphenyl

Downstream raw materials:

3,3'-Diphenyl-4,4'-dioxo-2,2'-dithioxo-1,1',2,2',3,3',4,4'-octahydro-6,6'-biquinazoline

3,3'-Bis(4-methylphenyl)-4,4'-dioxo-2,2'-dithioxo-1,1',2,2',3,3',4,4'-octahydro-6,6'-biquinazoline

3,3'-Bis(4-chlorophenyl)-4,4'-dioxo-2,2'-dithioxo-1,1',2,2',3,3',4,4'-octahydro-6,6'-biquinazoline

3,3'-Bis(2-methylphenyl)-4,4'-dioxo-2,2'-dithioxo-1,1',2,2',3,3',4,4'-octahydro-6,6'-biquinazoline