Ethyl 6-chloro-2-(chloromethyl)-4-phenylquinoline-3-carboxylate

Base Information

• Chemical Name: Ethyl 6-chloro-2-(chloromethyl)-4-phenylquinoline-3-carboxylate
• CAS No.: 126334-85-8
• Molecular Formula: C19H15Cl2NO2
• Molecular Weight: 360.24
• ChEMBL ID: CHEMBL1819403
• DSSTox Substance ID: DTXSID401173216
• Nikkaji Number: J2.390.187K
• Mol file: 126334-85-8.mol

Synonyms:ethyl 6-chloro-2-(chloromethyl)-4-phenylquinoline-3-carboxylate;126334-85-8;SCHEMBL3318169;CHEMBL1819403;GJLCBUACDUOGPT-UHFFFAOYSA-N;DTXSID401173216;ethyl 6-chloro-2-chloromethyl-4-phenylquinoline-3-carboxylate;Ethyl 6-chloro-2-(chloromethyl)-4-phenyl-3-quinolinecarboxylate

Chemical Property of Ethyl 6-chloro-2-(chloromethyl)-4-phenylquinoline-3-carboxylate

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 359.0479841
• Heavy Atom Count: 24
• Complexity: 428

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N=C1CCl)C3=CC=CC=C3

Technology Process of Ethyl 6-chloro-2-(chloromethyl)-4-phenylquinoline-3-carboxylate

There total 2 articles about Ethyl 6-chloro-2-(chloromethyl)-4-phenylquinoline-3-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: 95.0%

ethyl (2-chloroaceto)acetate (638-07-3) + 5-chloro-2-aminobenzophenone (719-59-5) → 6-chloro-2-chloromethyl-4-phenylquinoline-3-carboxylic acid ethyl ester (126334-85-8)

Guidance literature:

With ammonium cerium (IV) nitrate; In methanol; at 20 ℃; for 1h;

DOI:10.1021/cc900129t

Reference yield: 93.0%

ethyl (2-chloroaceto)acetate (638-07-3) + (2-aminophenyl)(phenyl)methanone (2835-77-0) → 6-chloro-2-chloromethyl-4-phenylquinoline-3-carboxylic acid ethyl ester (126334-85-8)

Guidance literature:

With benzyltrimethylazanium tetrachloro-λ³-iodanuide; acetic acid; at 20 ℃; for 10h; Sealed vessel;

DOI:10.1007/s00706-009-0170-2

Reference yield: 87.0%

morpholine (110-91-8,99108-56-2) + 6-chloro-2-chloromethyl-4-phenylquinoline-3-carboxylic acid ethyl ester (126334-85-8) → 3-carbethoxy-6-chloro-2-<(morpholinyl)methyl>-4-phenylquinoline

Guidance literature:

In methanol; for 16h; Ambient temperature;

upstream raw materials:

ethyl (2-chloroaceto)acetate

5-chloro-2-aminobenzophenone

(2-aminophenyl)(phenyl)methanone

Downstream raw materials:

3-carbethoxy-6-chloro-2-dichloromethyl-4-phenylquinoline

2-benzyl-7-chloro-2,3-dihydro-9-phenyl-1H-pyrrolo<3,4-b>quinoline-1-one

7-chloro-2,3-dihydro-2-isopropylimino-9-phenyl-1H-pyrrolo<3,4-b>quinoline-1-one

ethyl 6-chloro-2-((4-chloro-2-methoxyphenoxy)methyl)-4-phenylquinoline-3-carboxylate