2-Amino-6-chloro-4-phenylquinoline-3-carbonitrile

Base Information

• Chemical Name: 2-Amino-6-chloro-4-phenylquinoline-3-carbonitrile
• CAS No.: 31407-27-9
• Molecular Formula: C16H10 Cl N3
• Molecular Weight: 279.7237
• NSC Number: 108905
• DSSTox Substance ID: DTXSID20296347
• Wikidata: Q82036910
• Mol file: 31407-27-9.mol

Synonyms:2-amino-6-chloro-4-phenylquinoline-3-carbonitrile;31407-27-9;NSC108905;Maybridge1_000677;SCHEMBL3319793;HMS543G17;DTXSID20296347;UBEKCEMXDFJEDN-UHFFFAOYSA-N;CCG-45026;NSC-108905;SB71302;EN300-1719687;SR-01000634820-1;BRD-K14454954-001-01-2

Chemical Property of 2-Amino-6-chloro-4-phenylquinoline-3-carbonitrile

Chemical Property:

• Vapor Pressure: 7.63E-11mmHg at 25°C
• Boiling Point: 518.2°Cat760mmHg
• Flash Point: 267.2°C
• Density: 1.39g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 279.0563250
• Heavy Atom Count: 20
• Complexity: 384

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=NC3=C2C=C(C=C3)Cl)N)C#N

Technology Process of 2-Amino-6-chloro-4-phenylquinoline-3-carbonitrile

There total 2 articles about 2-Amino-6-chloro-4-phenylquinoline-3-carbonitrile 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: 87.0%

5-chloro-2-aminobenzophenone (719-59-5) + malononitrile (109-77-3) → 2-amino-3-cyano-4-phenyl-6-chloroquinoline (31407-27-9)

Guidance literature:

With sodium ethanolate; In ethanol; for 48h; Heating;

Reference yield:

→ 2-amino-3-cyano-4-phenyl-6-chloroquinoline (31407-27-9)

Guidance literature:

2-Amino-5-chlorobenzophenon IVc, Malonnitril, Py.;

Reference yield: 94.0%

2-amino-3-cyano-4-phenyl-6-chloroquinoline (31407-27-9) → 2-amino-6-chloro-4-phenyl-quinoline-3-carboxylic acid amide (31407-31-5)

Guidance literature:

With sulfuric acid; at 20 - 50 ℃; for 168h;

DOI:10.1021/jm0510979

upstream raw materials:

5-chloro-2-aminobenzophenone

malononitrile

Downstream raw materials:

2-amino-6-chloro-4-phenyl-quinoline-3-carboxylic acid amide