5-Amino-isophthalamide

Base Information

• Chemical Name: 5-Amino-isophthalamide
• CAS No.: 28321-49-5
• Molecular Formula: C8H9 N3 O2
• Molecular Weight: 179.178
• Hs Code.: 2924299090
• European Community (EC) Number: 823-643-6
• DSSTox Substance ID: DTXSID50367998
• Nikkaji Number: J3.532.250G
• Wikidata: Q82154260
• Mol file: 28321-49-5.mol

Synonyms:5-Amino-isophthalamide;5-Aminoisophthalamide;28321-49-5;5-aminobenzene-1,3-dicarboxamide;Oprea1_820872;IFLab1_000079;SCHEMBL1807992;DTXSID50367998;UXPIWHPHEGRYLB-UHFFFAOYSA-N;HMS1412D13;STK510422;AKOS000117878;SDCCGMLS-0065392.P001;IDI1_008298;BB 0243035;CS-0219750;EN300-04845;J3.532.250G;Z56922062

Chemical Property of 5-Amino-isophthalamide

Chemical Property:

• Vapor Pressure: 6.21E-07mmHg at 25°C
• Boiling Point: 410°C at 760 mmHg
• PKA: 15.51±0.50(Predicted)
• Flash Point: 201.8°C
• PSA: 112.20000
• Density: 1.387g/cm³
• LogP: 1.44840
• XLogP3: -1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 179.069476538
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

5-aminoisophthalamidehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(=O)N)N)C(=O)N

Technology Process of 5-Amino-isophthalamide

There total 2 articles about 5-Amino-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:

5-nitro-1,3-benzenedicarboxamide (38177-07-0) → 1-aminobenzene-3,5-dicarboxylic acid diamide (28321-49-5)

Guidance literature:

In methanol;

Reference yield:

5-nitro-1,3-benzenedicarbonylchloride (13438-30-7) → 1-aminobenzene-3,5-dicarboxylic acid diamide (28321-49-5)

Guidance literature:

Multi-step reaction with 2 steps

2: methanol

In methanol;

Reference yield:

1,1-difluoro-3-isocyanocyclobutane (1355328-31-2) + (S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidine-2-carboxylic acid (1448348-28-4) + 1-aminobenzene-3,5-dicarboxylic acid diamide (28321-49-5) + 2-chloro-benzaldehyde (89-98-5) → 5-((2S)-N-(1-(2-chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-1-(4-cyano pyridin-2-yl)-5-oxopyrrolidine-2-carboxamido)isophthalamide (1448348-39-7)

Guidance literature:

upstream raw materials:

5-nitro-1,3-benzenedicarbonylchloride

5-nitro-1,3-benzenedicarboxamide

Downstream raw materials:

5-(4,4-Dimethyl-3-oxo-pentanoylamino)-isophthalamide

5-((2S)-N-(1-(2-chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-1-(4-cyano pyridin-2-yl)-5-oxopyrrolidine-2-carboxamido)isophthalamide

(2S)-N-(1-(2-Chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-1-(4-cyanopyridin-2-yl)-N-(3,5-dicyanophenyl)-5-oxopyrrolidine-2-carboxamide