PDHK inhibitor

Base Information

Chemical Name:PDHK inhibitor
CAS No.:243982-58-3
Molecular Formula:C18H20F3N3O3
Molecular Weight:383.36
Hs Code.:
Mol file:243982-58-3.mol

Synonyms:Nov 3r;PDHK inhibitor;4-[(2R,5S)-2,5-dimethyl-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazine-1-carbonyl]benzonitrile;Benzonitrile, 4-[[(2R,5S)-2,5-dimethyl-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl]-1-piperazinyl]carbonyl]-

Suppliers and Price of PDHK inhibitor

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 2 raw suppliers

Chemical Property of PDHK inhibitor

Chemical Property:

Boiling Point:560.2±50.0 °C(Predicted)
PKA:11.19±0.29(Predicted)
PSA：60.85000
Density:1.35±0.1 g/cm3(Predicted)
LogP:1.71860

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Technology Process of PDHK inhibitor

There total 6 articles about PDHK inhibitor 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: 72.0%

: 6068-72-0
4-cyanobenzoyl chlorIde

: (R)-[(2S,5R)-2-methyl-5-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropionyl)piperazine]

: 243982-58-3
Nov₃r

Guidance literature:: With triethylamine; In dichloromethane; for 1h;
DOI:10.1021/jm990358+

Reference yield:

: 2815-34-1,1119702-25-8
2,5-dimethyl-piperazine

: 243982-58-3
Nov₃r

Guidance literature:: Multi-step reaction with 4 steps

1: ethanol

2: via the salt with (-)-tartaric acid

3: H₂ / 10percent Pd/C / ethanol / 3 h / 2172.08 Torr

4: 72 percent / Et₃N / CH₂Cl₂ / 1 h

With hydrogen; triethylamine; 10percent Pd/C; In ethanol; dichloromethane; 1: Alkylation / 2: resolution / 3: Hydrogenolysis / 4: Acylation;
DOI:10.1021/jm990358+

Reference yield:

: 216532-43-3,3138-88-3,324750-43-8,745031-35-0
(-)-(2R,5S)-1-benzyl-2,5-dimethylpiperazine

: 243982-58-3
Nov₃r

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / 10percent Pd/C / ethanol / 3 h / 2172.08 Torr

2: 72 percent / Et₃N / CH₂Cl₂ / 1 h

With hydrogen; triethylamine; 10percent Pd/C; In ethanol; dichloromethane; 1: Hydrogenolysis / 2: Acylation;
DOI:10.1021/jm990358+