Ethyl 6-chloro-2-phenylquinoline-4-carboxylate

Base Information

• Chemical Name: Ethyl 6-chloro-2-phenylquinoline-4-carboxylate
• CAS No.: 6633-64-3
• Molecular Formula: C18H14 Cl N O2
• Molecular Weight: 311.76
• Hs Code.: 2933499090
• NSC Number: 42127
• DSSTox Substance ID: DTXSID20984934
• Wikidata: Q82972319
• Mol file: 6633-64-3.mol

Synonyms:ethyl 6-chloro-2-phenylquinoline-4-carboxylate;NSC42127;SCHEMBL11173303;DTXSID20984934;NSC-42127

Chemical Property of Ethyl 6-chloro-2-phenylquinoline-4-carboxylate

Chemical Property:

• Vapor Pressure: 4.07E-10mmHg at 25°C
• Melting Point: 81-81.5 °C
• Boiling Point: 499.7°C at 760 mmHg
• PKA: 1.84±0.13(Predicted)
• Flash Point: 256°C
• PSA: 39.19000
• Density: 1.465g/cm³
• LogP: 4.73190
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 311.0713064
• Heavy Atom Count: 22
• Complexity: 383

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=CC=C3

Technology Process of Ethyl 6-chloro-2-phenylquinoline-4-carboxylate

There total 4 articles about Ethyl 6-chloro-2-phenylquinoline-4-carboxylate 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: 73.0%

ethyl 2-hydroxypropionate (97-64-3,2676-33-7) + benzaldehyde (100-52-7) + 4-chloro-aniline (106-47-8) → ethyl 6-chloro-2-phenylquinoline-4-carboxylate (6633-64-3)

Guidance literature:

With iron(III) chloride; at 110 ℃; for 12h; Green chemistry;

DOI:10.1039/d0gc00738b

Reference yield:

benzaldehyde (100-52-7) → ethyl 6-chloro-2-phenylquinoline-4-carboxylate (6633-64-3)

Guidance literature:

Multi-step reaction with 2 steps

1: InCl₃ / acetonitrile / 0.05 h / Heating; microwave irradiation

With indium(III) chloride; In acetonitrile; 2: aza-Diels-Alder reaction;

DOI:10.1039/b509400c

Reference yield:

4-chloro-aniline (106-47-8) → ethyl 6-chloro-2-phenylquinoline-4-carboxylate (6633-64-3)

Guidance literature:

Multi-step reaction with 2 steps

1: InCl₃ / acetonitrile / 0.05 h / Heating; microwave irradiation

With indium(III) chloride; In acetonitrile; 2: aza-Diels-Alder reaction;

DOI:10.1039/b509400c

upstream raw materials:

2-methoxyacrylic acid ethyl ester

(E)-N-benzylidene-4-chloroaniline

benzaldehyde

4-chloro-aniline