1-(5-Bromopyrimidin-2-yl)-4-piperidinol

Base Information

• Chemical Name: 1-(5-Bromopyrimidin-2-yl)-4-piperidinol
• CAS No.: 887425-47-0
• Molecular Formula: C9H12BrN3O
• Molecular Weight: 258.118
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70405124
• Wikidata: Q82209527
• Mol file: 887425-47-0.mol

Synonyms:887425-47-0;1-(5-Bromopyrimidin-2-yl)-4-piperidinol;1-(5-bromopyrimidin-2-yl)piperidin-4-ol;MFCD03646019;SCHEMBL356301;DTXSID70405124;KHDDJQBUJMYKAY-UHFFFAOYSA-N;AKOS013186137;AM87376;CS-W021242;MB02906;DS-10376;4-Piperidinol,1-(5-bromo-2-pyrimidinyl)-;FT-0767674;EN300-3269174;A861512;SR-01000384000;J-503421;SR-01000384000-1;Z1162912596

Chemical Property of 1-(5-Bromopyrimidin-2-yl)-4-piperidinol

Chemical Property:

• Vapor Pressure: 9.42E-08mmHg at 25°C
• Refractive Index: 1.618
• Boiling Point: 418.5 °C at 760 mmHg
• Flash Point: 206.9 °C
• PSA: 49.25000
• Density: 1.6g/cm³
• LogP: 1.26520
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 257.01637
• Heavy Atom Count: 14
• Complexity: 177

Purity/Quality:

98%min ^*data from raw suppliers

1-(5-Bromopyrimidin-2-yl)piperidin-4-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(5-Bromopyrimidin-2-yl)-4-piperidinol

There total 2 articles about 1-(5-Bromopyrimidin-2-yl)-4-piperidinol 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: 99.0%

4-HYDROXYPIPERIDINE (5382-16-1) + 5-Bromo-2-chloropyrimidine (32779-36-5) → 1-(5-bromopyrimidin-2-yl)piperidin-4-ol (887425-47-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; for 15h; Heating / reflux;

Reference yield: 47.9%

→ 1-(5-bromopyrimidin-2-yl)piperidin-4-ol (887425-47-0)

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃;

Reference yield: 94.0%

1-(5-bromopyrimidin-2-yl)piperidin-4-ol (887425-47-0) + tert-butyl (2-{methyl[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]amino}-2-oxoethyl)carbamate (1279027-31-4) → tert-butyl {2-[{3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]benzyl}(methyl)amino]-2-oxoethyl}carbamate (1279030-58-8)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; at 90 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.bmc.2017.05.059

upstream raw materials:

4-HYDROXYPIPERIDINE

5-Bromo-2-chloropyrimidine

Downstream raw materials:

tert-butyl {2-[{3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]benzyl}(methyl)amino]-2-oxoethyl}carbamate

Refernces

• 1、 -. "Monocycle gyrase and topoisomerase IV inhibitor". Paragraph 0388; 0389-0391. . Retrieved 2017/01/05.
• 2、 -. "NOVEL PYRROLOY2,3-d¨PYRIMIDINE COMPOUND". Page/Page column 68. . Retrieved 2011/12/12.