1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol

Base Information

• Chemical Name: 1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol
• CAS No.: 401930-07-2
• Molecular Formula: C₁₀H₁₂F₃N₃O
• Molecular Weight: 247.22
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID50383810
• Wikidata: Q72512842
• Mol file: 401930-07-2.mol

Synonyms:401930-07-2;1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol;1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol;1-(4-Trifluoromethyl-pyrimidin-2-yl)-piperidin-4-ol;1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinol;4-Piperidinol,1-[4-(trifluoromethyl)-2-pyrimidinyl]-;Maybridge1_000401;SCHEMBL5463427;HMS542K05;DTXSID50383810;QQWTYVSELDRYPM-UHFFFAOYSA-N;MFCD01311906;AKOS008491772;CCG-236482;DS-2341;FS-3310;MB01762;SDCCGMLS-0065834.P001;CS-0155574;FT-0765878;A824971;J-504113

Chemical Property of 1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol

Chemical Property:

• Vapor Pressure: 5.15E-06mmHg at 25°C
• Melting Point: 99oC
• Boiling Point: 366.4ºC at 760 mmHg
• PKA: 14.51±0.20(Predicted)
• Flash Point: 175.4ºC
• PSA: 49.25000
• Density: 1.383g/cm3
• LogP: 1.52150
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 247.09324650
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

97% ^*data from raw suppliers

1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1O)C2=NC=CC(=N2)C(F)(F)F

Technology Process of 1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol

There total 1 articles about 1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol 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: 96.0%

4-HYDROXYPIPERIDINE (5382-16-1) + 2-chloro-4-trifluoromethylpyrimidine (33034-67-2) → 1-(4-(trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol (401930-07-2)

Guidance literature:

With triethylamine; In isopropyl alcohol; for 4h; Reflux;

DOI:10.1111/bph.12877

Reference yield:

1-(4-(trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol (401930-07-2) → 4-(2-fluoro-4-(methylsulfonyl)phenoxy)-5-methyl-6-(1-(4-(trifluoromethyl)pyrimidin-2-yl)piperidin-4-yloxy)pyrimidine (1609431-35-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium tert-butylate / tetrahydrofuran / 0.5 h / 0 - 20 °C

2: potassium carbonate / N,N-dimethyl acetamide / 4 h / 150 °C

With potassium tert-butylate; potassium carbonate; In tetrahydrofuran; N,N-dimethyl acetamide;

upstream raw materials:

4-HYDROXYPIPERIDINE

2-chloro-4-trifluoromethylpyrimidine

Downstream raw materials:

4-(2-fluoro-4-(methylsulfonyl)phenoxy)-5-methyl-6-(1-(4-(trifluoromethyl)pyrimidin-2-yl)piperidin-4-yloxy)pyrimidine

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