Diamate

Base Information

• Chemical Name: Diamate
• CAS No.: 39985-63-2
• Molecular Formula: C14H12ClNO2
• Molecular Weight: 261.708
• DSSTox Substance ID: DTXSID20877413
• Nikkaji Number: J1.042A
• Wikidata: Q82859206
• ChEMBL ID: CHEMBL2269745
• Mol file: 39985-63-2.mol

Synonyms:Chlorphthalim;Diamate;Chlorindrin;N-(p-Chlorophenyl)-3,4,5,6-tetrahydrophthalimide;88402-43-1;39985-63-2;2-(4-Chlorophenyl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione;N-(4-chlorophenyl)-3,4,5,6-tetrahydrophthalimide;1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrahydro-2-(4-chlorophenyl)-;4,5,6,7-Tetrahydro-2-(4-chlorophenyl)-1H-isoindole-1,3(2H)-dione;CHLOROPHTHALIUM;SCHEMBL315018;CHEMBL2269745;DTXSID20877413;CHEBI:133019;LS-84640;N-(4-chlorophenyl)cyclohex-1-ene-1,2-dicarboximide;N-(p-chlorophenyl)cyclohex-1-ene-1,2-dicarboximide;1H-Isoindole-1,3(2H)-dione, 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-

Chemical Property of Diamate

Chemical Property:

• Vapor Pressure: 1.8E-07mmHg at 25°C
• Melting Point: 161-162 °C
• Boiling Point: 426.3°Cat760mmHg
• PKA: -1.47±0.20(Predicted)
• Flash Point: 211.6°C
• PSA: 37.38000
• Density: 1.38g/cm³
• LogP: 3.14880
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 261.0556563
• Heavy Atom Count: 18
• Complexity: 394

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)Cl

Technology Process of Diamate

There total 3 articles about Diamate 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:

N-(4-chlorophenyl)-3,4,5,6-tetrahydroisophthalimide → N-(4-chlorophenyl)-3,4,5,6-tetrahydrophthalimide (39985-63-2,88402-43-1) + cyclohex-1-ene-1,2-dicarboxylic acid (635-08-5) + 4-chloro-aniline (106-47-8) + N-(4-chlorophenyl)-3,4,5,6-tetrahydrophthalamic acid (65948-78-9)

Guidance literature:

With Echinochloa utilis; for 168h; Product distribution; hydrolysis, various tertahydroisophthalimides, various time of incubation;

DOI:10.1271/bbb.57.1913

Reference yield:

3,4,5,6-Tetrahydrophthalic anhydride (2426-02-0) + 4-chloro-aniline (106-47-8) → N-(4-chlorophenyl)-3,4,5,6-tetrahydrophthalimide (39985-63-2,88402-43-1)

Guidance literature:

Reference yield:

→ N-(4-chlorophenyl)-3,4,5,6-tetrahydrophthalimide (39985-63-2,88402-43-1)

Guidance literature:

3,4,5,6-Tetrahydrophthalsaeureanhydrid, p-Chloranilin;

DOI:10.1080/00021369.1976.10862124

upstream raw materials:

3,4,5,6-Tetrahydrophthalic anhydride

4-chloro-aniline

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