Diethyl 2,5-dianilinoterephthalate

Base Information

• Chemical Name: Diethyl 2,5-dianilinoterephthalate
• CAS No.: 14297-59-7
• Molecular Formula: C24H24 N2 O4
• Molecular Weight: 404.466
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID8065747
• Nikkaji Number: J421.913I
• Wikidata: Q81992369
• Mol file: 14297-59-7.mol

Synonyms:Diethyl 2,5-dianilinoterephthalate;14297-59-7;diethyl 2,5-dianilinobenzene-1,4-dicarboxylate;2,5-Bisanilinoterephthalic acid diethyl ester;1,4-Benzenedicarboxylic acid, 2,5-bis(phenylamino)-, diethyl ester;1,4-Benzenedicarboxylic acid, 2,5-bis(phenylamino)-, 1,4-diethyl ester;SCHEMBL5846272;DTXSID8065747;ethyl 2,5-di(anilino) terephthalate;2,5-Dianilinoterephthalic acid diethyl ester;DIETHYL 2,5-BIS(ANILINO)BENZENE-1,4-DICARBOXYLATE

Chemical Property of Diethyl 2,5-dianilinoterephthalate

Chemical Property:

• Vapor Pressure: 1.01E-12mmHg at 25°C
• Boiling Point: 563.5°C at 760 mmHg
• Flash Point: 294.6°C
• PSA: 76.66000
• Density: 1.224g/cm³
• LogP: 5.67320
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 404.17360725
• Heavy Atom Count: 30
• Complexity: 495

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=C(C=C1NC2=CC=CC=C2)C(=O)OCC)NC3=CC=CC=C3

Technology Process of Diethyl 2,5-dianilinoterephthalate

There total 6 articles about Diethyl 2,5-dianilinoterephthalate 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: 96.0%

diethyl 1,4-cyclohexanedione-2,5-dicarboxylate (787-07-5) + aniline (62-53-3) → diethyl NN'-diphenyl-2,5-diaminoterephthalate (14297-59-7)

Guidance literature:

With acetic acid; at 100 ℃; for 12h;

DOI:10.1055/s-0034-1380713

Reference yield: 89.0%

diethyl 2,5-dihydroxy-1,4-cyclohexadiene-1,4-dicarboxylate (16877-79-5) + aniline (62-53-3) → diethyl NN'-diphenyl-2,5-diaminoterephthalate (14297-59-7)

Guidance literature:

With hydrogenchloride; In water; toluene; at 60 ℃; for 48h;

DOI:10.1002/ejoc.200800211

Reference yield:

diethyl NN'-diphenyl-2,5-diaminoterephthalate - benzene complex (81123-31-1) → diethyl NN'-diphenyl-2,5-diaminoterephthalate (14297-59-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

In solid; effect of solvent vapours (ethanol, acetone, water) and temperature on the rate of decomposition;

upstream raw materials:

diethyl 1,4-cyclohexanedione-2,5-dicarboxylate

aniline

2,5-dianilino-3,6-dihydroterephthalic acid diethyl ester

diethyl NN'-diphenyl-2,5-diaminoterephthalate - benzene complex

Downstream raw materials:

diethyl NN'-diphenyl-2,5-diaminoterephthalate - benzene complex

C₃₂H₃₂N₄O₆

C₃₂H₃₄N₄O₆

C₂₈H₃₀N₄O₆

Refernces

• 1、 Zhang, Yawei,Starynowicz, Przemyslaw,Christoffers, Jens. "Fluorescent bis(oligophenylylamino)terephthalates". experimental part. p. 3488 - 3495. Retrieved 2009/04/14.
• 2、 Mann, Barbara J.,Paul, Iain C.,Curtin, David Y.. "The Heterogeneous Thermal Transformation of the Orange Diethyl NN'-Diphenyl-2,5-diaminoterephthalate Benzene Complex to the Red Solvent-free Compound. X-Ray Crystal Structures of the Two Forms". . p. 1583 - 1590. Retrieved 2007/10/02.