5-Bromo-2-(piperazin-1-yl)pyrimidine

Base Information

• Chemical Name: 5-Bromo-2-(piperazin-1-yl)pyrimidine
• CAS No.: 99931-82-5
• Molecular Formula: C8H11BrN4
• Molecular Weight: 243.106
• Hs Code.: 2933990090
• European Community (EC) Number: 671-758-3
• DSSTox Substance ID: DTXSID90373755
• Wikidata: Q82162085
• Mol file: 99931-82-5.mol

Synonyms:99931-82-5;5-Bromo-2-(piperazin-1-yl)pyrimidine;5-Bromo-2-(1-piperazinyl)pyrimidine;5-Bromo-2-piperazinopyrimidine;1-(5-bromopyrimidin-2-yl)piperazine;5-Bromo-2-piperazin-1-yl-pyrimidine;5-bromo-2-piperazin-1-ylpyrimidine;5-bromo-2-(piperazin-1yl)pyrimidine;MFCD01314280;Maybridge1_006751;Oprea1_405948;SCHEMBL573579;HMS560K19;DTXSID90373755;YHWLBBPOKRHVAR-UHFFFAOYSA-N;5bromo-2-piperazin-1-yl-pyrimidine;BBL029231;STK727419;AKOS005536849;AB08511;FS-1265;2-(piperazin-1-yl)-(5-bromo)pyrimidine;SY025716;5-bromo-2-(1-piperazin-4-iumyl)pyrimidine;5-bromo-2-piperazin-4-ium-1-yl-pyrimidine;CS-0169251;FT-0600873;EN300-39567;A51121;5-bromo-2-(piperazin-1-yl)pyrimidine, AldrichCPR;A846104;J-516993;Z274797730

Chemical Property of 5-Bromo-2-(piperazin-1-yl)pyrimidine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 77 °C
• Refractive Index: 1.584
• Boiling Point: 383.436 °C at 760 mmHg
• Flash Point: 185.696 °C
• PSA: 41.05000
• Density: 1.516 g/cm³
• LogP: 1.04250
• Storage Temp.: Room temperature.
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 242.01671
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

99%, ^*data from raw suppliers

5-Bromo-2-piperazinopyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=NC=C(C=N2)Br

Technology Process of 5-Bromo-2-(piperazin-1-yl)pyrimidine

There total 4 articles about 5-Bromo-2-(piperazin-1-yl)pyrimidine 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: 86.0%

tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate (374930-88-8) → 1-(5-bromopyrimidin-2-yl)piperazine (99931-82-5)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 1h;

DOI:10.1021/acs.jmedchem.8b01365

Reference yield: 80.2%

N-(2-pyridinyl)piperazine (20980-22-7) → 1-(5-bromopyrimidin-2-yl)piperazine (99931-82-5)

Guidance literature:

With bromine; calcium carbonate; In water; at 50 - 55 ℃; for 2h;

DOI:10.1248/cpb.39.2288

Reference yield:

1-[4-(5-Bromo-pyrimidin-2-yl)-piperazin-1-yl]-ethanone (494772-35-9) → 1-(5-bromopyrimidin-2-yl)piperazine (99931-82-5)

Guidance literature:

With hydrogenchloride; water; Heating / reflux;

upstream raw materials:

N-(2-pyridinyl)piperazine

1-[4-(5-Bromo-pyrimidin-2-yl)-piperazin-1-yl]-ethanone

tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate

Downstream raw materials:

5-Bromo-2-{4-[2-(3,5-dichloro-phenyl)-3H-imidazol-4-ylmethyl]-piperazin-1-yl}-pyrimidine

5-bromo-2-(4-ethylpiperazin-1-yl)pyrimidine

5-{5-[2-(piperazin-1-yl)pyrimidin-5-yl]-1H-benzimidazol-1-yl}-3-({(1R)-1-[2-chlorophenyl]ethyl}oxy)thiophene-2-carboxamide

4-[4-(5-Bromo-pyrimidin-2-yl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-one

Refernces

• 1、 -. "Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders". Page/Page column 62. . Retrieved 2010/02/14.
• 2、 Yevich, Joseph P.,New, James S.,Lobeck, Walter G.,Dextraze, Pierre,Brenstein, Edith,et al.. "Synthesis and Biological Characterization of α-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazinebutanol and Analogues as Potential Atypical Antipsychotic Agents". . p. 4516 - 4525. Retrieved 2007/10/02.