1-(2-Bromophenyl)piperazine

Base Information

• Chemical Name: 1-(2-Bromophenyl)piperazine
• CAS No.: 1011-13-8
• Molecular Formula: C10H13BrN2
• Molecular Weight: 241.131
• Hs Code.: 2933599090
• European Community (EC) Number: 673-619-2
• DSSTox Substance ID: DTXSID60373747
• Wikidata: Q72511149
• Mol file: 1011-13-8.mol

Synonyms:1-(2-bromophenyl)piperazine;1011-13-8;Piperazine, 1-(2-bromophenyl)-;MFCD03844726;1-(2-Bromophenyl)-piperazine;1-(o-bromophenyl)piperazine;SCHEMBL232830;DTXSID60373747;JVTRURBMYILQDA-UHFFFAOYSA-N;AMY32954;AKOS009157493;FS-1607;SY023464;FT-0633240;EN300-77081;A800331;J-502961;Z594274798

Chemical Property of 1-(2-Bromophenyl)piperazine

Chemical Property:

• Appearance/Colour: Gray power
• Vapor Pressure: 0.000108mmHg at 25°C
• Refractive Index: 1.575
• Boiling Point: 336.967 °C at 760 mmHg
• PKA: 8.80±0.10(Predicted)
• Flash Point: 157.592 °C
• PSA: 15.27000
• Density: 1.386 g/cm³
• LogP: 2.25250
• XLogP3: 2.1
• 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:

98%,99%, ^*data from raw suppliers

1-(2-Bromophenyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC=CC=C2Br

Technology Process of 1-(2-Bromophenyl)piperazine

There total 10 articles about 1-(2-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: 93.9%

piperazine (110-85-0) + 2-Bromo-benzenediazonium; hydrogen sulfate (137092-17-2) → 1-(2-bromophenyl)piperazine (1011-13-8)

Guidance literature:

In methanol; at 0 - 10 ℃; for 3h;

Reference yield: 85.0%

4-(2-bromophenyl)piperazine-1-carboxylic acid tert-butyl ester (494773-35-2) → 1-(2-bromophenyl)piperazine (1011-13-8)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 20 ℃; for 1h;

Reference yield: 54.3%

→ 1-(2-bromophenyl)piperazine (1011-13-8)

Guidance literature:

With potassium carbonate; In butan-1-ol; at 20 ℃; for 50h;

upstream raw materials:

2-bromoaniline

2,3-dibromobenzene

4-(2-bromophenyl)piperazine-1-carboxylic acid tert-butyl ester

piperazine

Downstream raw materials:

3-[4-(2-bromo-phenyl)-piperazino]-propionitrile

N-{3-[4-(2-bromo-phenyl)-piperazino]-propyl}-acetamide

2-(piperazin-1-yl)benzonitrile

4-(4-(2-bromophenyl)piperazin-1-yl)-2-cyclopropylquinazolin-6-amine

Refernces

• 1、 -. "Preparation method of diaryl sulfide amine compound". Paragraph 0066; 0067; 0069. . Retrieved 2020/03/12.
• 2、 -. "Preparation method of vortioxetine". Paragraph 0033; 0047-0048; 0053-0054; 0059-0060; 0065-0066. . Retrieved 2019/10/01.