2-methyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Base Information

• Chemical Name: 2-methyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• CAS No.: 6511-23-5
• Molecular Formula: C₁₁H₁₁N₃O₂
• Molecular Weight: 217.227
• DSSTox Substance ID: DTXSID60387667
• Mol file: 6511-23-5.mol

Synonyms:6511-23-5;2-methyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;AC1MEB5X;DTXSID60387667;SR-01000472175;SR-01000472175-1;2-methyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

Chemical Property of 2-methyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Chemical Property:

• Vapor Pressure: 5.59E-15mmHg at 25°C
• Boiling Point: 613.3°Cat760mmHg
• Flash Point: 324.7°C
• Density: 1.37g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 427.15076138
• Heavy Atom Count: 31
• Complexity: 802

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=N3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

Technology Process of 2-methyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

There total 2 articles about 2-methyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide 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:

N-Glycyl-aminoacetonitril-monoacetat (14542-92-8) + benzoyl chloride (98-88-4) → (N-benzoylglycyl)amidoacetonitrile (6511-23-5)

Guidance literature:

With sodium hydrogencarbonate;

DOI:10.1248/cpb.16.1417

Reference yield:

→ (N-benzoylglycyl)amidoacetonitrile (6511-23-5)

Guidance literature:

Glycylaminoacetonitril;

Reference yield:

(N-benzoylglycyl)amidoacetonitrile (6511-23-5) + L-3-phenyllactic acid (20312-36-1) → O-(N-hippurylthioglycyl)-3-phenyl-L-lactic acid (82544-27-2)

Guidance literature:

With hydrogenchloride; hydrogen sulfide; Yield given. Multistep reaction; 1.) tetrahydrofuran, 0 deg C, 2 h, 2.) 1 h;

DOI:10.1021/ja00383a038

upstream raw materials:

N-Glycyl-aminoacetonitril-monoacetat

benzoyl chloride

Downstream raw materials:

O-(N-hippurylthioglycyl)-3-phenyl-L-lactic acid