4-Isoquinolinecarboxamide

Base Information

• Chemical Name: 4-Isoquinolinecarboxamide
• CAS No.: 7114-81-0
• Molecular Formula: C10H8N2O
• Molecular Weight: 172.186
• Mol file: 7114-81-0.mol

Synonyms:4-Carbamoylisoquinoline;isoquinoline-4-carboxylic acid amide;4-Aminocarbonylisoquinoline;Isochinolin-4-carbonsaeure-amid;4-Isoquinolinecarboxamide;Isochinolin-carbonsaeureamid-4;

Chemical Property of 4-Isoquinolinecarboxamide

Chemical Property:

• Melting Point: 168-172 °C
• Boiling Point: 440.9±18.0 °C(Predicted)
• PKA: 15.09±0.30(Predicted)
• PSA: 56.97000
• Density: 1.270±0.06 g/cm3(Predicted)
• LogP: 2.21790

Purity/Quality:

98.5% ^*data from raw suppliers

isoquinoline-4-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Isoquinolinecarboxamide

There total 1 articles about 4-Isoquinolinecarboxamide 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-(2-Cyanoethyl)-4-aminocarbonylisoquinolinium cation (118798-88-2) → 4-Aminocarbonylisoquinoline (7114-81-0) + acrylonitrile (107-13-1,25014-41-9)

Guidance literature:

In water; at 25 ℃; Rate constant; ionic strength 0.1, carbonate buffer (pH 9.4-10.5);

DOI:10.1021/ja00188a047

Reference yield: 61.0%

4-Aminocarbonylisoquinoline (7114-81-0) + Cyclohexyl isocyanide (931-53-3) + methyl chloroformate (79-22-1) → methyl 4-cyano-1-cyclohexylcarbamoyl-1,2-dihydro-2-quinolinecarboxylate (918948-96-6) + methyl 4-carbamoyl-1-cyclohexylcarbamoyl-1,2-dihydro-2-quinolinecarboxylate

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1021/ol062327w

Reference yield:

4-Aminocarbonylisoquinoline (7114-81-0) → N1-cyclohexyl-1,4-isoquinolinedicarboxamide

Guidance literature:

Multi-step reaction with 2 steps

1: 61 percent / CH₂Cl₂ / 20 °C

2: 61 percent / DDQ / CH₂Cl₂ / 12 h

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane;

DOI:10.1021/ol062327w

upstream raw materials:

N-(2-Cyanoethyl)-4-aminocarbonylisoquinolinium cation

Downstream raw materials:

methyl 4-cyano-1-cyclohexylcarbamoyl-1,2-dihydro-2-quinolinecarboxylate

Refernces