(1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester

Base Information

• Chemical Name: (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester
• CAS No.: 74590-04-8
• Molecular Formula: C₁₆H₁₀N₄O₁₂
• Molecular Weight: 450.275
• DSSTox Substance ID: DTXSID50225564
• Wikidata: Q83104582
• Mol file: 74590-04-8.mol

Synonyms:(1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester;74590-04-8;BRN 3188752;Dimethyl ester of 2,4,4',6'-tetranitrobiphenyl-2',6-dicarboxylic acid;4,4',6,6'-Tetranitro-(1,1'-biphenyl)-2,2'-dicarboxylic acid dimethyl ester;2-09-00-00663 (Beilstein Handbook Reference);DTXSID50225564;STK291007;AKOS003364018;dimethyl 4,4',6,6'-tetranitrobiphenyl-2,2'-dicarboxylate

Chemical Property of (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester

Chemical Property:

• Boiling Point: 627oC at 760 mmHg
• Flash Point: 264.6oC
• PSA: 235.88000
• Density: 1.62g/cm3
• LogP: 4.65240
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 450.02952177
• Heavy Atom Count: 32
• Complexity: 731

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

Technology Process of (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester

There total 4 articles about (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester 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:

methyl 2-chloro-3,5-dinitrobenzoate (2213-79-8) → 4,4',6,6'-tetranitro-2,2'-dicarboxybiphenyl dimethyl ester (74590-04-8)

Guidance literature:

With copper; at 115 - 160 ℃;

Reference yield:

methanol (67-56-1) + 4,4',6,6'-tetranitro-2,2'-dicarboxybiphenyl (18811-76-2,169737-61-5) → 4,4',6,6'-tetranitro-2,2'-dicarboxybiphenyl dimethyl ester (74590-04-8)

Guidance literature:

With sulfuric acid;

DOI:10.1007/BF00745768

Reference yield:

methyl iodide (74-88-4) → 4,4',6,6'-tetranitro-2,2'-dicarboxybiphenyl dimethyl ester (74590-04-8)

Guidance literature:

DOI:10.1039/CT9222100614

upstream raw materials:

methyl 2-chloro-3,5-dinitrobenzoate

methanol

4,4',6,6'-tetranitro-2,2'-dicarboxybiphenyl

methyl iodide