1-(3-Bromophenyl)piperazine

Base Information

• Chemical Name: 1-(3-Bromophenyl)piperazine
• CAS No.: 31197-30-5
• Molecular Formula: C10H13BrN2
• Molecular Weight: 241.131
• Hs Code.: 2933599090
• European Community (EC) Number: 673-029-5
• DSSTox Substance ID: DTXSID40953283
• Wikidata: Q72511143
• Mol file: 31197-30-5.mol

Synonyms:1-(3-Bromophenyl)piperazine;31197-30-5;1-(3-bromophenyl)-piperazine;Piperazine, 1-(3-bromophenyl)-;(3'-bromophenyl)piperazine;1-(3-Bromo-phenyl)-piperazine;MFCD03412123;N-3-Bromophenylpiperazine;N-(3-bromophenyl)-piperazine;SCHEMBL689422;1-(3-bromo phenyl)piperazine;1-(3-bromophenyl) piperazine;DTXSID40953283;DOYNABJKDZARLF-UHFFFAOYSA-N;AMY32956;AKOS009157494;AB90743;FS-1512;1-(3-bromophenyl)piperazine, AldrichCPR;AC-28092;BP-21301;A5655;CS-0106249;FT-0638957;EN300-41045;Q-102282

Chemical Property of 1-(3-Bromophenyl)piperazine

Chemical Property:

• Appearance/Colour: Colorless to pale yellow liquid
• Vapor Pressure: 3.65E-05mmHg at 25°C
• Refractive Index: 1.575
• Boiling Point: 353.2 °C at 760 mmHg
• PKA: 8.92±0.10(Predicted)
• Flash Point: 167.4 °C
• PSA: 15.27000
• Density: 1.386 g/cm³
• LogP: 2.25250
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 240.02621
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

99%, ^*data from raw suppliers

1-(3-Bromophenyl)piperazine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC(=CC=C2)Br

Technology Process of 1-(3-Bromophenyl)piperazine

There total 2 articles about 1-(3-Bromophenyl)piperazine 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: 94.0%

→ 1-(3-bromophenyl)piperazine (31197-30-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

Reference yield: 72.0%

bis-(2-chloroethyl)amine hydrochloride (821-48-7) + m-Bromoaniline (591-19-5) → 1-(3-bromophenyl)piperazine (31197-30-5)

Guidance literature:

bis-(2-chloroethyl)amine hydrochloride; m-Bromoaniline; In butan-1-ol; for 48h; Heating;

With sodium carbonate; In butan-1-ol; for 24h; Heating;

DOI:10.1248/cpb.50.453

Reference yield: 99.0%

di-tert-butyl dicarbonate (24424-99-5) + 1-(3-bromophenyl)piperazine (31197-30-5) → 1,1-dimethylethyl 4-(3-bromophenyl)piperazine-1-carboxylate (327030-39-7)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 3h;

upstream raw materials:

bis-(2-chloroethyl)amine hydrochloride

m-Bromoaniline

Downstream raw materials:

1-(2-benzyl-thiazol-4-ylmethyl)-4-(3-bromo-phenyl)-piperazine

1-(3-Bromo-phenyl)-4-(3-nitro-pyridin-4-yl)-piperazine

2-[4-(3-Bromo-phenyl)-piperazin-1-yl]-N-(7-hydroxy-2,2,4,6-tetramethyl-indan-1-yl)-acetamide

1-[5-Methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-3-[4-(3-bromophenyl)-1-piperazinyl]-1-propanone

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