2-phenylethyl 7-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Base Information

• Chemical Name: 2-phenylethyl 7-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
• CAS No.: 5706-14-9
• Molecular Formula: C39H36ClNO5
• Molecular Weight: 250.297
• DSSTox Substance ID: DTXSID00386437
• ChEMBL ID: CHEMBL601975
• Mol file: 5706-14-9.mol

Synonyms:GNF-Pf-3307;2-phenylethyl 7-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate;CHEMBL601975;DTXSID00386437;STK065319;AKOS003246097;SR-01000422560;SR-01000422560-1;2-phenylethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Chemical Property of 2-phenylethyl 7-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Chemical Property:

• Vapor Pressure: 1E-23mmHg at 25°C
• Boiling Point: 771.5°C at 760 mmHg
• Flash Point: 420.4°C
• PSA: 73.86000
• Density: 1.29g/cm³
• LogP: 8.40390
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 633.2282009
• Heavy Atom Count: 46
• Complexity: 1110

Purity/Quality:

2-[(Z)-(4-METHOXYPHENYL)METHYLIDENE]-1H-INDEN-1(3H)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C(=O)OCCC6=CC=CC=C6

Technology Process of 2-phenylethyl 7-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

There total 12 articles about 2-phenylethyl 7-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-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: 97.0%

4-methoxy-benzaldehyde (123-11-5) + inden-1-one (83-33-0) → 2-(4-methoxybenzylidene)-2,3-dihydro-1H-inden-1-one (17434-24-1,17434-25-2,5706-14-9)

Guidance literature:

With silica-gel-supported sulfuric acid; In neat (no solvent); at 65 ℃; for 1.5h; Reagent/catalyst; Temperature; Time; Solvent;

DOI:10.3390/molecules180810081

Reference yield: 90.0%

4-methoxy-benzaldehyde (123-11-5) + inden-1-one (83-33-0) → 2-[(E)-4-methoxyphenylmethylidene]-1-indanone (5706-14-9)

Guidance literature:

With sodium hydroxide; In ethanol; for 3h;

DOI:10.1021/je00050a032

Reference yield: 90.0%

3-(4-methoxyphenyl)-1-(2-methylphenyl)prop-2-yn-1-one (1202532-06-6) → 2-[(E)-4-methoxyphenylmethylidene]-1-indanone (5706-14-9)

Guidance literature:

With aluminum (III) chloride; In 1,4-dioxane; at 80 ℃; for 72h; Reagent/catalyst; Temperature; regioselective reaction; Schlenk technique; Irradiation; Inert atmosphere;

DOI:10.1039/d0cc04636a

upstream raw materials:

1-methyl-1-indanol

4-methoxy-benzaldehyde

inden-1-one

carbon monoxide

Downstream raw materials:

4-(4-methoxyphenyl)<5H>indeno<1,2-b>pyridine-2(1H)-one

4-(4-Methoxy-phenyl)-2-oxo-2,3,4,5-tetrahydro-1H-indeno[1,2-b]pyridine-3-carboxylic acid amide

2-[1-(4-Methoxy-phenyl)-meth-(E)-ylidene]-indan-1-ol

3-Acetyl-4-(4-methoxy-phenyl)-1,3,4,5-tetrahydro-indeno[1,2-b]pyridin-2-one