1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic Acid

Base Information

• Chemical Name: 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic Acid
• CAS No.: 465514-39-0
• Molecular Formula: C11H12F3N3O2
• Molecular Weight: 275.23
• Hs Code.: 2933990090
• European Community (EC) Number: 672-521-7
• DSSTox Substance ID: DTXSID90380661
• Wikidata: Q82171037
• Mol file: 465514-39-0.mol

Synonyms:465514-39-0;1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic Acid;1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylic acid;1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidine-4-carboxylic acid;1-[4-(Trifluoromethyl)-2-pyrimidinyl]-4-piperidine carboxylic acid;SCHEMBL895533;DTXSID90380661;QYAIISDWPUEPHG-UHFFFAOYSA-N;MFCD02091615;AKOS000311565;MB02226;PS-6952;CS-0313182;FT-0607147;A827074;J-504114;1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidine-4-carboxylicacid;1-[4-(trifluoromethyl)pyrimid-2-yl]piperidine-4-carboxylic acid;1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylic acid, AldrichCPR

Chemical Property of 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic Acid

Chemical Property:

• Vapor Pressure: 3.63E-08mmHg at 25°C
• Melting Point: 140oC
• Boiling Point: 430.2oC at 760 mmHg
• Flash Point: 214oC
• PSA: 66.32000
• Density: 1.419g/cm3
• LogP: 1.86140
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 275.08816112
• Heavy Atom Count: 19
• Complexity: 330

Purity/Quality:

97% ^*data from raw suppliers

1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C(=O)O)C2=NC=CC(=N2)C(F)(F)F

Technology Process of 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic Acid

There total 1 articles about 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-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:

→ 1-(4-(trifluoromethyl)pyrimidin-2-yl)piperidine-4-carboxylic acid (465514-39-0)

Guidance literature:

Reference yield: 89.0%

1-(4-(trifluoromethyl)pyrimidin-2-yl)piperidine-4-carboxylic acid (465514-39-0) + 4-fluoroaniline (371-40-4) → N-(4-fluorophenyl)-1-(4-(trifluoromethyl)pyrimidin-2-yl)piperidine-4-carboxamide

Guidance literature:

1-(4-(trifluoromethyl)pyrimidin-2-yl)piperidine-4-carboxylic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 0.5h;

4-fluoroaniline; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1016/j.ejmech.2015.05.041