2-Oxo-1-[4-(Trifluoromethyl)Benzyl]-1,2-Dihydro-3-Pyridinecarboxylic Acid

Base Information

• Chemical Name: 2-Oxo-1-[4-(Trifluoromethyl)Benzyl]-1,2-Dihydro-3-Pyridinecarboxylic Acid
• CAS No.: 66158-46-1
• Molecular Formula: C14H10 F3 N O3
• Molecular Weight: 297.234
• Hs Code.: 2933399090
• European Community (EC) Number: 671-585-3
• DSSTox Substance ID: DTXSID10379739
• Wikidata: Q82169691
• Mol file: 66158-46-1.mol

Synonyms:66158-46-1;2-Oxo-1-[4-(Trifluoromethyl)Benzyl]-1,2-Dihydro-3-Pyridinecarboxylic Acid;2-oxo-1-(4-(trifluoromethyl)benzyl)-1,2-dihydropyridine-3-carboxylic acid;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic Acid;2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridine carboxylic acid;2-oxo-1-(4-trifluoromethyl-benzyl)-1,2-dihydro-pyridine-3-carboxylic acid;2-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxylic acid;2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydropyridine-3-carboxylic acid;4,5-Dicarboxymidazole;SCHEMBL3354461;DTXSID10379739;MFCD00243696;AKOS005070721;6E-309S;SB55151;FT-0641050;EN300-235806;A835352;J-510198;F2153-0006;1-[4-(trifluoromethyl)benzyl]pyridin-2-one-3-carboxylic acid;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate

Chemical Property of 2-Oxo-1-[4-(Trifluoromethyl)Benzyl]-1,2-Dihydro-3-Pyridinecarboxylic Acid

Chemical Property:

• Vapor Pressure: 1.83E-09mmHg at 25°C
• Melting Point: 192-193oC
• Boiling Point: 465.4°C at 760 mmHg
• PKA: 2.55±0.20(Predicted)
• Flash Point: 235.3°C
• PSA: 59.30000
• Density: 1.466g/cm³
• LogP: 2.61360
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 297.06127767
• Heavy Atom Count: 21
• Complexity: 488

Purity/Quality:

98%min ^*data from raw suppliers

2-Oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C(=O)C(=C1)C(=O)O)CC2=CC=C(C=C2)C(F)(F)F

Technology Process of 2-Oxo-1-[4-(Trifluoromethyl)Benzyl]-1,2-Dihydro-3-Pyridinecarboxylic Acid

There total 3 articles about 2-Oxo-1-[4-(Trifluoromethyl)Benzyl]-1,2-Dihydro-3-Pyridinecarboxylic 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:

C16H14F3NO3 (1001413-67-7) → 2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydropyridine-3-carboxylic acid (66158-46-1)

Guidance literature:

C₁₆H₁₄F₃NO₃; With sodium hydroxide; water; at 20 ℃; for 3h;

With hydrogenchloride; In water;

Reference yield:

diethyl [3-methoxypro-2-enylidene]malonate → 2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydropyridine-3-carboxylic acid (66158-46-1)

Guidance literature:

Multi-step reaction with 2 steps

1: iso-butanol / 16 h / 110 °C

2: sodium hydroxide; water / 3 h / 20 °C

With sodium hydroxide; water; In iso-butanol;

Reference yield:

→ 2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydropyridine-3-carboxylic acid (66158-46-1)

Guidance literature:

upstream raw materials:

C₁₆H₁₄F₃NO₃

Downstream raw materials:

C₂₁H₁₆BrF₃N₂O₂

Refernces

• 1、 -. "PYRIDINONYL PDK1 INHIBITORS". Page/Page column 98. . Retrieved 2008/06/13.