4-(Pyrimidin-2-yl)piperidin-4-ol

Base Information

• Chemical Name: 4-(Pyrimidin-2-yl)piperidin-4-ol
• CAS No.: 861217-38-1
• Molecular Formula: C₉H₁₃N₃O
• Molecular Weight: 179.222
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90702228
• Wikidata: Q82634079
• Mol file: 861217-38-1.mol

Synonyms:4-(Pyrimidin-2-yl)piperidin-4-ol;861217-38-1;4-pyrimidin-2-ylpiperidin-4-ol;4-(2-PYRIMIDINYL)-4-PIPERIDINOL;SCHEMBL2586838;DTXSID90702228;VWFVZWXCJBCQJD-UHFFFAOYSA-N;4-pyrimidin-2-yl-piperidin-4-ol;AKOS006304502;SB42502;FT-0715160

Chemical Property of 4-(Pyrimidin-2-yl)piperidin-4-ol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 327.976°C at 760 mmHg
• PKA: 13.38±0.20(Predicted)
• Flash Point: 152.155°C
• PSA: 58.04000
• Density: 1.207g/cm³
• LogP: 0.37640
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 179.105862047
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

95% ^*data from raw suppliers

4-(Pyrimidin-2-yl)piperidin-4-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1(C2=NC=CC=N2)O

Technology Process of 4-(Pyrimidin-2-yl)piperidin-4-ol

There total 2 articles about 4-(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: 83.0%

4-hydroxy-4-pyrimidin-2-yl-piperidine-1-carboxylic acid tert-butyl ester (182416-02-0) → 4-hydroxy-4-(2-pyrimidinyl)piperidine (861217-38-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane;

DOI:10.1016/j.bmcl.2005.04.059

Reference yield:

N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → 4-hydroxy-4-(2-pyrimidinyl)piperidine (861217-38-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: BuLi / tetrahydrofuran; hexane / 0.5 h / -78 °C

1.2: 61 percent / tetrahydrofuran; hexane / -78 - 20 °C

2.1: 83 percent / trifluoroacetic acid / CH₂Cl₂ / 0.5 h

With n-butyllithium; trifluoroacetic acid; In tetrahydrofuran; hexane; dichloromethane;

DOI:10.1016/j.bmc.2005.10.046

upstream raw materials:

4-hydroxy-4-pyrimidin-2-yl-piperidine-1-carboxylic acid tert-butyl ester

N-tert-butyloxycarbonylpiperidin-4-one