3-Chloro-4-isoquinolinamine

Base Information

• Chemical Name: 3-Chloro-4-isoquinolinamine
• CAS No.: 342899-38-1
• Molecular Formula: C9H7 Cl N2
• Molecular Weight: 178.621
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID20442685
• Nikkaji Number: J1.500.018J
• Wikidata: Q82260105
• Mol file: 342899-38-1.mol

Synonyms:3-Chloro-4-isoquinolinamine;342899-38-1;3-chloroisoquinolin-4-amine;4-AMINO-3-CHLOROISOQUINOLINE;MFCD08235154;3-chloroisoquinoline-4-amine;SCHEMBL3298150;DTXSID20442685;AKOS006284499;DS-0421;FS-2814;FT-0650325;J-512239;3-Chloroisoquinolin-4-amine, 4-Amino-3-chloro-2-azanaphthalene

Chemical Property of 3-Chloro-4-isoquinolinamine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.712
• Boiling Point: 372.773°C at 760 mmHg
• Flash Point: 179.247°C
• PSA: 38.91000
• Density: 1.363g/cm³
• LogP: 3.05160
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 178.0297759
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-4-isoquinolinamine ^*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(=C2N)Cl

Technology Process of 3-Chloro-4-isoquinolinamine

There total 1 articles about 3-Chloro-4-isoquinolinamine 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) → 4-amino-3-chloroisoquinoline (342899-38-1)

Guidance literature:

Multi-step reaction with 2 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

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

DOI:10.1002/jhet.5570380114

Reference yield:

4-amino-3-chloroisoquinoline (342899-38-1) → N-(3-chloro-4-isoquinolinyl)-2-cyclopropylamino-3-pyridinecarboxamide (342899-40-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / pyridine / acetonitrile / 16 h / 45 °C

2: 86 percent / dimethylsulfoxide / 12 h / 120 °C

With pyridine; In dimethyl sulfoxide; acetonitrile;

DOI:10.1002/jhet.5570380114

upstream raw materials:

4-nitro-isoquinoline

Downstream raw materials:

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