2-chloro-N-(3-chloroisoquinolin-4-yl)pyridine-3-carboxamide

Base Information

• Chemical Name: 2-chloro-N-(3-chloroisoquinolin-4-yl)pyridine-3-carboxamide
• CAS No.: 342899-39-2
• Molecular Formula: C15H9 Cl2 N3 O
• Molecular Weight: 318.162
• DSSTox Substance ID: DTXSID00443554
• Wikidata: Q82261439
• Mol file: 342899-39-2.mol

Synonyms:342899-39-2;2-Chloro-N-(3-chloroisoquinolin-4-yl)nicotinamide;2-Chloro-N-(3-chloro-4-isoquinolinyl)nicotinamide;2-chloro-N-(3-chloroisoquinolin-4-yl)pyridine-3-carboxamide;DTXSID00443554;FT-0711301

Chemical Property of 2-chloro-N-(3-chloroisoquinolin-4-yl)pyridine-3-carboxamide

Chemical Property:

• PSA: 54.88000
• LogP: 4.26190
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 317.0122673
• Heavy Atom Count: 21
• Complexity: 382

Purity/Quality:

98%Min ^*data from raw suppliers

2-CHLORO-N-(3-CHLORO-4-ISOQUINOLINYL)-3-PYRIDINECARBOXAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=NC(=C2NC(=O)C3=C(N=CC=C3)Cl)Cl

Technology Process of 2-chloro-N-(3-chloroisoquinolin-4-yl)pyridine-3-carboxamide

There total 1 articles about 2-chloro-N-(3-chloroisoquinolin-4-yl)pyridine-3-carboxamide 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:

4-nitro-isoquinoline (36073-93-5) → 2-chloro-N-(3-chloro-4-isoquinolinyl)-3-pyridinecarboxamide (342899-39-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 97 percent / H₂ / 5 percent Pd/C / methanol / 5 h / 20 °C / 3750.3 Torr

2: 86 percent / conc. aq. HCl; 35 percent aq. H₂O₂ / 0.5 h / 20 °C

3: 75 percent / pyridine / acetonitrile / 16 h / 45 °C

With pyridine; hydrogenchloride; hydrogen; dihydrogen peroxide; palladium on activated charcoal; In methanol; acetonitrile;

DOI:10.1002/jhet.5570380114

Reference yield: 86.0%

Cyclopropylamine (765-30-0) + 2-chloro-N-(3-chloro-4-isoquinolinyl)-3-pyridinecarboxamide (342899-39-2) → N-(3-chloro-4-isoquinolinyl)-2-cyclopropylamino-3-pyridinecarboxamide (342899-40-5)

Guidance literature:

In dimethyl sulfoxide; at 120 ℃; for 12h;

DOI:10.1002/jhet.5570380114

upstream raw materials:

4-nitro-isoquinoline

Downstream raw materials:

N-(3-chloro-4-isoquinolinyl)-2-cyclopropylamino-3-pyridinecarboxamide