2,5-Dianilinoterephthalic acid

Base Information

• Chemical Name: 2,5-Dianilinoterephthalic acid
• CAS No.: 10109-95-2
• Molecular Formula: C20H16 N2 O4
• Molecular Weight: 348.358
• Hs Code.: 2922499990
• European Community (EC) Number: 233-302-8
• UNII: H2QSS4HZP2
• DSSTox Substance ID: DTXSID7064948
• Nikkaji Number: J62.016E
• Wikidata: Q81985312
• Mol file: 10109-95-2.mol

Synonyms:2,5-Dianilinoterephthalic acid;10109-95-2;2,5-bis(phenylamino)terephthalic acid;1,4-Benzenedicarboxylic acid, 2,5-bis(phenylamino)-;EINECS 233-302-8;2,5-di(phenylamino)terephthalic acid;EC 233-302-8;CBDivE_010595;H2QSS4HZP2;Oprea1_567229;Oprea1_594854;2,5dianilinoterephthalic acid;SCHEMBL351705;YSZC1776;2,5 -dianilinoterephthalic acid;2,5-dianilino-terephthalic acid;DTXSID7064948;2,5-diphenylaminoterephthalic acid;Terephthalic acid, 2,5-dianilino-;2,5-di(phenylamino) terephthalic acid;BS-51594;CS-0170343;FT-0636630;E77862;2,5-Bis(phenylamino)-1,4-benzenedicarboxylic acid;W-110248

Chemical Property of 2,5-Dianilinoterephthalic acid

Chemical Property:

• Vapor Pressure: 2.29E-13mmHg at 25°C
• Melting Point: 308-312 °C (decomp)
• Boiling Point: 559.8°Cat760mmHg
• PKA: 2.79±0.36(Predicted)
• Flash Point: 292.3°C
• PSA: 98.66000
• Density: 1.412g/cm³
• LogP: 4.71620
• XLogP3: 6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 348.11100700
• Heavy Atom Count: 26
• Complexity: 442

Purity/Quality:

99.9% ^*data from raw suppliers

2,5-DIANILINOTEREPHTHALIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,5-Dianilinoterephthalic acid

There total 21 articles about 2,5-Dianilinoterephthalic acid 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: 98.0%

2,5-dianilinoterephthalic acid dimethyl ester (14297-60-0) → 2,5-di(phenylamino)-terephthalic acid (10109-95-2)

Guidance literature:

With water; sodium hydroxide; In methanol; at 60 - 70 ℃; for 1h; Reagent/catalyst; Inert atmosphere;

Reference yield: 96.0%

dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate (6289-46-9) + aniline (62-53-3) → 2,5-di(phenylamino)-terephthalic acid (10109-95-2)

Guidance literature:

dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate; aniline; With acetic acid; In methanol; at 102 - 105 ℃; for 4h; Inert atmosphere;

With potassium hydroxide; In methanol; at 60 - 70 ℃; for 1h; Inert atmosphere;

With sodium anthraquinone-2-sulfonate; dihydrogen peroxide; In methanol; for 0.5h; Inert atmosphere;

Reference yield: 90.7%

→ 2,5-di(phenylamino)-terephthalic acid (10109-95-2)

Guidance literature:

upstream raw materials:

diethyl NN'-diphenyl-2,5-diaminoterephthalate

2,5-Bis--terephthalsaeure-dimethylester

2,5-bis-(N-nitroso-anilino)-terephthalic acid

acetic acid

Downstream raw materials:

Quinacridone

2,5-bis-(N-nitroso-anilino)-terephthalic acid

C₂₈H₃₀N₄O₆

C₃₂H₃₄N₄O₆

Refernces

• 1、 -. "Preparation method for quinacridone and derivatives of quinacridone". Paragraph 0028. . Retrieved 2017/08/29.
• 2、 Moriuchi, Toshiyuki,Ohmura, Satoshi D.,Morita, Kenji,Hirao, Toshikazu. "Hydrogen-bonding-induced chirality organization and stabilization of redox species of polyaniline-unit molecules by introduction of amino acid pendant groups". experimental part. p. 3206 - 3213. Retrieved 2012/02/13.