4-Chloro-2-phenylquinoline

Base Information

• Chemical Name: 4-Chloro-2-phenylquinoline
• CAS No.: 4979-79-7
• Molecular Formula: C15H10ClN
• Molecular Weight: 239.704
• Hs Code.: 2933499090
• European Community (EC) Number: 654-126-1
• NSC Number: 127922
• DSSTox Substance ID: DTXSID30299066
• Nikkaji Number: J1.087.014C
• Wikidata: Q82041252
• ChEMBL ID: CHEMBL1995900
• Mol file: 4979-79-7.mol

Synonyms:4-chloro-2-phenylquinoline;4979-79-7;2-Phenyl-4-chloroquinoline;4-chloro-2-phenyl-quinoline;NSC127922;4-chloro-2-phenyl-quinolin;4-Chloro-2-phenyl quinoline;SCHEMBL785473;CHEMBL1995900;DTXSID30299066;GLVDSTVYOFXBKT-UHFFFAOYSA-N;BCP33168;MFCD00160641;AKOS009866012;NSC-127922;SB70493;NCI60_000638;FT-0724299

Chemical Property of 4-Chloro-2-phenylquinoline

Chemical Property:

• Vapor Pressure: 1.35E-05mmHg at 25°C
• Melting Point: 62-64oC
• Boiling Point: 378.6°C at 760 mmHg
• PKA: 3.08±0.13(Predicted)
• Flash Point: 214.6°C
• PSA: 12.89000
• Density: 1.235g/cm³
• LogP: 4.55520
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 239.0501770
• Heavy Atom Count: 17
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

4-CHLORO-2-PHENYLQUINOLINE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)Cl

Technology Process of 4-Chloro-2-phenylquinoline

There total 27 articles about 4-Chloro-2-phenylquinoline 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: 90.0%

2-phenyl-1H-quinolin-4-one (14802-18-7) → 4-chloro-2-phenylquinoline (4979-79-7)

Guidance literature:

With trichlorophosphate; at 0 - 80 ℃;

DOI:10.1016/j.bmc.2010.01.061

Reference yield: 84.0%

4-chloro-2-phenyl-N-formyl-1,2-dihydroquinoline (347335-60-8) → 4-chloro-2-phenylquinoline (4979-79-7)

Guidance literature:

With iron(III) chloride; In methanol; at 100 ℃; for 4h;

DOI:10.1002/jhet.5570450248

Reference yield: 79.0%

trimethyl(phenyl)stannane (934-56-5) + 2,4-dichloroquinoline (703-61-7) → 4-chloro-2-phenylquinoline (4979-79-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; for 16h; Heating;

DOI:10.1021/jo981423a

upstream raw materials:

2-phenylquinoline 1-oxide

2-phenylquinolin-4-amine

2-phenyl-4-quinolinol

4-Chloroquinoline N-oxide

Downstream raw materials:

NSC 19826

bis-(2-phenyl-[4]quinolyl)-sulfide

2-phenyl-quinoline-4-thiol

2-Phenylquinoline

Refernces

• 1、 Yang, Rui,Du, Wenhao,Yuan, Huan,Qin, Tianhong,He, Renxiao,Ma, Yanni,Du, Haiying. "Synthesis and biological evaluation of 2-phenyl-4-aminoquinolines as potential antifungal agents". . p. 1065 - 1075. Retrieved 2020/11/09.
• 2、 Ren, Xiaoxiao,Han, Shuaijun,Gao, Xianying,Li, Jingya,Zou, Dapeng,Wu, Yangjie,Wu, Yusheng. "Direct arylation for the synthesis of 2-arylquinolines from N-methoxyquinoline-1-ium tetrafluoroborate salts and arylboronic acids". supporting information. p. 1065 - 1068. Retrieved 2018/02/19.