Isophthalamide

Base Information

• Chemical Name: Isophthalamide
• CAS No.: 1740-57-4
• Molecular Formula: C8H8N2O2
• Molecular Weight: 164.164
• Hs Code.: 2924299090
• European Community (EC) Number: 217-104-9
• UNII: ZP57YML58I
• DSSTox Substance ID: DTXSID20169744
• Nikkaji Number: J203.148E
• Wikidata: Q27117979
• Metabolomics Workbench ID: 56007
• Mol file: 1740-57-4.mol

Synonyms:Isophthalamide;1740-57-4;1,3-Benzenedicarboxamide;benzene-1,3-dicarboxamide;m-Phthalamide;Isophthaldiamide;Isophthalic acid diamide;m-Carbamoylbenzamide;BRN 2045544;EINECS 217-104-9;UNII-ZP57YML58I;ZP57YML58I;1-09-00-00372 (Beilstein Handbook Reference);ISO-PHTHALAMIDE;Isophthalamide, 95%;TimTec1_002854;Oprea1_838972;SCHEMBL36694;CHEBI:38801;QZUPTXGVPYNUIT-UHFFFAOYSA-;DTXSID20169744;HMS1542B16;MFCD00014801;STL260986;AKOS003277417;AS-5641;SB75732;LS-29713;AM20030157;CS-0207242;FT-0627449;I0152;D91091;A811603;Q27117979;Z275156916

Chemical Property of Isophthalamide

Chemical Property:

• Vapor Pressure: 1.26E-07mmHg at 25°C
• Melting Point: 268-270 °C
• Refractive Index: 1.612
• Boiling Point: 430.8 °C at 760 mmHg
• PKA: 15.25±0.50(Predicted)
• Flash Point: 214.4 °C
• PSA: 86.18000
• Density: 1.294 g/cm³
• LogP: 1.28500
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.058577502
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

98%,99%, ^*data from raw suppliers

Isophthalamide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(=O)N)C(=O)N

Technology Process of Isophthalamide

There total 13 articles about Isophthalamide 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: 99.0%

benzene-1,3-dicarbonitrile (626-17-5) → isophthalamide (1740-57-4)

Guidance literature:

With dihydrogen peroxide; potassium carbonate; In dimethyl sulfoxide; for 0.166667h; Ambient temperature;

DOI:10.1055/s-1989-27441

Reference yield: 90.0%

benzene-1,3-dicarbonitrile (626-17-5) → 3-cyanobenzamide (3441-01-8) + isophthalamide (1740-57-4)

Guidance literature:

With water; palladium diacetate; acetic acid; scandium tris(trifluoromethanesulfonate); at 30 ℃; for 24h;

DOI:10.1002/ejoc.201601495

Reference yield: 90.0%

Isophthalaldehyde (626-19-7) → isophthalamide (1740-57-4)

Guidance literature:

With aluminum oxide; hydroxylamine hydrochloride; methanesulfonyl chloride; water; at 100 ℃; for 2h;

DOI:10.1016/S0040-4020(02)01417-5

upstream raw materials:

1,3-bis(ethyl carboximidate)bezene dihydrochloride

benzene-1,3-dicarbonyl dichloride

benzene-1,3-dicarbonitrile

diethyl isophthalate

Downstream raw materials:

benzene-1,3-dicarbonitrile

3-cyanobenzamide

N,N'-bis-trichlorophosphoranylidene-isophthalamide

Isophthalsaeure-bis-(aethoxycarbonylamid)

Refernces

• 1、 -. "Synthesis method of high-quality M-phenylenediamine". Paragraph 0018-0019; 0022-0023; 0026-0027; 0030-0031; 0034. . Retrieved 2021/01/30.
• 2、 Deshpande, Mukund V.,Kulkarni, Anand M.,Pathan, Ejaj K.,Prasanna, Nallaballe V. L.,Ramana, Chepuri V.. "NADP-dependent glutamate dehydrogenases in a dimorphic zygomycete Benjaminiella poitrasii: Purification, characterization and their evaluation as an antifungal drug target". . . Retrieved 2020/08/21.