2-Chloroquinolin-4-amine

Base Information

• Chemical Name: 2-Chloroquinolin-4-amine
• CAS No.: 80947-25-7
• Molecular Formula: C9H7ClN2
• Molecular Weight: 178.621
• Hs Code.: 2933499090
• European Community (EC) Number: 828-541-5
• DSSTox Substance ID: DTXSID00512279
• Wikidata: Q72459259
• Mol file: 80947-25-7.mol

Synonyms:2-Chloroquinolin-4-amine;80947-25-7;4-AMINO-2-CHLOROQUINOLINE;MFCD08705643;2-chloro-quinolin-4-ylamine;SCHEMBL1845376;DTXSID00512279;QVCRGJALYOLXDC-UHFFFAOYSA-N;AMY23070;AKOS006288572;CS-W006264;DS-2719;FS-3735;MB06583;SY037385;FT-0722561;EN300-304322;A864623

Chemical Property of 2-Chloroquinolin-4-amine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 250℃
• Refractive Index: 1.712
• Boiling Point: 365.857 °C at 760 mmHg
• PKA: 4.24±0.50(Predicted)
• Flash Point: 175.064 °C
• PSA: 38.91000
• Density: 1.363 g/cm³
• LogP: 3.05160
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.5
• 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

2-Chloroquinolin-4-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=N2)Cl)N

Technology Process of 2-Chloroquinolin-4-amine

There total 8 articles about 2-Chloroquinolin-4-amine 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: 91.0%

4-azido-2-chloro-quinoline (157027-30-0) → 2-chloroquinoline-4-amine (80947-25-7)

Guidance literature:

With sodium dithionite; In methanol; for 3h; Reflux;

DOI:10.1016/j.jphotochem.2016.08.014

Reference yield: 44.0%

2,4-dichloroquinoline (703-61-7) → 2-chloroquinoline-4-amine (80947-25-7)

Guidance literature:

With ammonia; In water; at 160 ℃; for 2.5h; Microwave irradiation;

DOI:10.1021/jm8014052

Reference yield:

2-chloroquinoline-4-carboxamide (4295-16-3) → 2-chloroquinoline-4-amine (80947-25-7)

Guidance literature:

With sodium hydroxide; bromine;

DOI:10.1002/hlca.19490320557 DOI:10.1002/ardp.19362740202

upstream raw materials:

4-aminoquinoline 1-oxide

2-chloroquinoline-4-carboxamide

N-(1-oxy-[4]quinolyl)-hydroxylamine; hydrochloride

2-hydroxyquinoline-4-carboxylic acid

Downstream raw materials:

N-(2-chloroquinolin-4-yl)benzamide

N-(2-chloroquinolin-4-yl)cyclohexanecarboxamide

C₂₀H₁₄ClN₅O

C₂₁H₁₆ClN₅O₂