2-Cyclohexyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

Base Information

• Chemical Name: 2-Cyclohexyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
• CAS No.: 73349-37-8
• Molecular Formula: C₂₂H₂₃NO₃
• Molecular Weight: 349.43
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID70376961
• ChEMBL ID: CHEMBL4943869
• Mol file: 73349-37-8.mol

Synonyms:73349-37-8;2-Cyclohexyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid;2-cyclohexyl-1-oxo-3-phenyl-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid;2-cyclohexyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic Acid;Oprea1_104365;CHEMBL4943869;DTXSID70376961;MFCD03016042;AKOS005069732;CS-0365115;FT-0641456;SR-01000468781;12R-0295;J-509239;SR-01000468781-1;2-Cyclohexyl-1-oxo-3-phenyl-1,2,3,4-tetrahydro-4isoquinolinecarboxylic acid;2-Cyclohexyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylicacid

Chemical Property of 2-Cyclohexyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 7.3E-13mmHg at 25°C
• Melting Point: 237-240°C
• Refractive Index: 1.619
• Boiling Point: 548.5°C at 760 mmHg
• Flash Point: 285.5°C
• PSA: 57.61000
• Density: 1.246g/cm³
• LogP: 4.32250
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 349.16779360
• Heavy Atom Count: 26
• Complexity: 522

Purity/Quality:

97% ^*data from raw suppliers

2-Cyclohexyl-1-oxo-3-phenyl-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)N2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CC=C4

Technology Process of 2-Cyclohexyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

There total 2 articles about 2-Cyclohexyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid 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: 79.0%

cyclohexylamine (108-91-8,157973-60-9) + benzaldehyde (100-52-7) + homophthalic anhydride (703-59-3) → cis-2-cyclohexyl-1-oxo-3-phenyl-1,2,3,4-tetrahydro-4-isoquinoline-carboxylic acid (73349-37-8,106712-02-1)

Guidance literature:

With magnesium sulfate; ytterbium(III) triflate; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1002/adsc.200404211

Reference yield: 67.0%

N-phenyl(methylidene)cyclohexanamine (2211-66-7) + homophthalic anhydride (703-59-3) → cis-2-cyclohexyl-1-oxo-3-phenyl-1,2,3,4-tetrahydro-4-isoquinoline-carboxylic acid (73349-37-8,106712-02-1)

Guidance literature:

In chloroform; Ambient temperature;

DOI:10.1021/jo00381a033

upstream raw materials:

N-phenyl(methylidene)cyclohexanamine

homophthalic anhydride

cyclohexylamine

benzaldehyde