1,4-Benzenedicarboxylic acid, 2-[(4-methylphenyl)amino]-5-(phenylamino)-

Base Information

• Chemical Name: 1,4-Benzenedicarboxylic acid, 2-[(4-methylphenyl)amino]-5-(phenylamino)-
• CAS No.: 67906-32-5
• Molecular Formula: C21H18N2O4
• Molecular Weight: 362.385
• European Community (EC) Number: 267-701-3
• DSSTox Substance ID: DTXSID20887032
• Nikkaji Number: J287.712K
• Wikidata: Q82866041
• Mol file: 67906-32-5.mol

Synonyms:67906-32-5;Terephthalic acid, 2-anilino-5-p-toluidino-;1,4-Benzenedicarboxylic acid, 2-[(4-methylphenyl)amino]-5-(phenylamino)-;EINECS 267-701-3;1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)-;5-Anilino-2-((p-tolyl)amino)terephthalic acid;5-ANILINO-2-[(P-TOLYL)AMINO]TEREPHTHALIC ACID;SCHEMBL11647944;DTXSID20887032;2-[(4-Methylphenyl)amino]-5-(phenylamino)terephthalic acid

Chemical Property of 1,4-Benzenedicarboxylic acid, 2-[(4-methylphenyl)amino]-5-(phenylamino)-

Chemical Property:

• Vapor Pressure: 6.28E-14mmHg at 25°C
• Boiling Point: 572.1°Cat760mmHg
• Flash Point: 299.8°C
• PSA: 98.66000
• Density: 1.378g/cm³
• LogP: 5.02460
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 362.12665706
• Heavy Atom Count: 27
• Complexity: 512

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC2=CC(=C(C=C2C(=O)O)NC3=CC=CC=C3)C(=O)O

Technology Process of 1,4-Benzenedicarboxylic acid, 2-[(4-methylphenyl)amino]-5-(phenylamino)-

There total 3 articles about 1,4-Benzenedicarboxylic acid, 2-[(4-methylphenyl)amino]-5-(phenylamino)- 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:

1,4-cyclohexanedione-2,5-di-carboxylic acid methyl ester (27712-87-4) + p-toluidine (106-49-0,12221-03-3) + aniline (62-53-3) → C21H18N2O4 (67906-32-5) + 2,5-di(phenylamino)-terephthalic acid (10109-95-2) + 2,5-di(4'-methylphenylamino)terephthalic acid (10291-28-8)

Guidance literature:

1,4-cyclohexanedione-2,5-di-carboxylic acid methyl ester; p-toluidine; aniline; hydrogenchloride; In methanol; water; at 20 - 90 ℃; for 5.25h; under 0 Torr;

With sodium hydroxide; sodium 3-nitrobenzenesulfonate; In methanol; water; at 20 - 90 ℃; for 5.25h;

With hydrogenchloride; In water; at 30 - 40 ℃; for 0.5h;

Reference yield:

→ C21H18N2O4 (67906-32-5) + C21H18N2O5 + C22H20N2O5 + 2,5-di(phenylamino)-terephthalic acid (10109-95-2) + 2,5-di(4'-methylphenylamino)terephthalic acid (10291-28-8) + 2,5-di(p-methoxyanilino)-3,6-dihydroterephthalic acid (41680-75-5)

Guidance literature:

Reference yield:

→ C21H18N2O4 (67906-32-5) + 2,5-di(phenylamino)-terephthalic acid (10109-95-2) + 2,5-di(4'-methylphenylamino)terephthalic acid (10291-28-8)

Guidance literature:

Product distribution / selectivity;

upstream raw materials:

1,4-cyclohexanedione-2,5-di-carboxylic acid methyl ester

p-toluidine

aniline

Downstream raw materials:

Quinacridone

C_.I_. Pigment Red 122

5,12-dihydro-2-methylquino[2,3-b]acridine-7,14-dione

Refernces