1,4,5,6-Tetrahydro-2-methyl-6-oxo-4-[4-(fluoro)phenyl]-3-pyridinecarboxylic acid

Base Information

Chemical Name:1,4,5,6-Tetrahydro-2-methyl-6-oxo-4-[4-(fluoro)phenyl]-3-pyridinecarboxylic acid
CAS No.:864082-26-8
Molecular Formula:C13H12 F N O3
Molecular Weight:249.242
Hs Code.:
DSSTox Substance ID:DTXSID60582731
Mol file:864082-26-8.mol

Synonyms:864082-26-8;1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-[4-(FLUORO)PHENYL]-3-PYRIDINECARBOXYLIC ACID;4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylic acid;4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid;SCHEMBL3342133;DTXSID60582731;HOYFTYXENLJYGH-UHFFFAOYSA-N;3-Pyridinecarboxylicacid,4-(4-fluorophenyl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-;4-(4-Fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylic acid

Suppliers and Price of 1,4,5,6-Tetrahydro-2-methyl-6-oxo-4-[4-(fluoro)phenyl]-3-pyridinecarboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 1,4,5,6-Tetrahydro-2-methyl-6-oxo-4-[4-(fluoro)phenyl]-3-pyridinecarboxylic acid

Chemical Property:

Boiling Point:475.7±45.0 °C(Predicted)
PKA:6.55±0.40(Predicted)
PSA：69.89000
Density:1.319±0.06 g/cm3(Predicted)
LogP:2.06370
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:249.08012141
Heavy Atom Count:18
Complexity:397

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)F)C(=O)O

Technology Process of 1,4,5,6-Tetrahydro-2-methyl-6-oxo-4-[4-(fluoro)phenyl]-3-pyridinecarboxylic acid

There total 2 articles about 1,4,5,6-Tetrahydro-2-methyl-6-oxo-4-[4-(fluoro)phenyl]-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: 67.0%

: 299207-90-2
methyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

: 864082-26-8
4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylic acid

Guidance literature:: With sodium hydroxide; In methanol; at 60 ℃; for 6h;
DOI:10.1021/jm0609014

Reference yield:

: 459-57-4
4-fluorobenzaldehyde

: 864082-26-8
4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 20 percent / acetic acid; ammonium acetate / 3.5 h / Heating

2: 67 percent / aq. NaOH / methanol / 6 h / 60 °C

With ammonium acetate; sodium hydroxide; acetic acid; In methanol;
DOI:10.1021/jm0609014