2-(3,4-Dichlorophenyl)piperazine

Base Information

• Chemical Name: 2-(3,4-Dichlorophenyl)piperazine
• CAS No.: 185110-06-9
• Molecular Formula: C10H12 Cl2 N2
• Molecular Weight: 231.125
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30401066
• Mol file: 185110-06-9.mol

Synonyms:2-(3,4-dichlorophenyl)piperazine;185110-06-9;2-(3,4-DICHLORO-PHENYL)-PIPERAZINE;SCHEMBL5729496;DTXSID30401066;PUJZPGUYDJGSAC-UHFFFAOYSA-N;188788-22-9;2-(3,4-dichloro-phenyl)piperazine;AC4967;MFCD06411096;AKOS015911595;AB25158;AB36404;AB36406;SY224316;CS-0448950;FT-0658400;(R)-2-(3,4-DICHLORO-PHENYL)-PIPERAZINE;(S)-2-(3,4-DICHLORO-PHENYL)-PIPERAZINE;A812922

Chemical Property of 2-(3,4-Dichlorophenyl)piperazine

Chemical Property:

• Vapor Pressure: 5.14E-05mmHg at 25°C
• Refractive Index: 1.549
• Boiling Point: 348.1°Cat760mmHg
• Flash Point: 164.3°C
• PSA: 24.06000
• Density: 1.238g/cm³
• LogP: 2.88490
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 230.0377538
• Heavy Atom Count: 14
• Complexity: 189

Purity/Quality:

98%min ^*data from raw suppliers

2-(3,4-Dichlorophenyl)piperazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(CN1)C2=CC(=C(C=C2)Cl)Cl

Technology Process of 2-(3,4-Dichlorophenyl)piperazine

There total 8 articles about 2-(3,4-Dichlorophenyl)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: 25.0%

ethylenediamine (107-15-3,85404-18-8) + 2-(3,4-dichlorophenyl)-2-oxoacetaldehyde (38923-36-3) → 2-(3,4-dichlorophenyl)piperazine (185110-06-9)

Guidance literature:

ethylenediamine; 2-(3,4-dichlorophenyl)-2-oxoacetaldehyde; In tetrahydrofuran; methanol; at 0 ℃;

With sodium tetrahydroborate; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2017.06.078

Reference yield:

2-(3,4-dichlorophenyl)pyrazine + sodium sulfate (7757-82-6) → 2-(3,4-dichlorophenyl)piperazine (185110-06-9)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; NH₃ MeOH; dichloromethane;

Reference yield:

BOC-glycine (4530-20-5) + 2-(R,S)-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazine (185110-30-9) + N-ethyl-N,N-diisopropylamine (7087-68-5) → 2-(3,4-dichlorophenyl)piperazine (185110-06-9)

Guidance literature:

With hydrogenchloride; benzotriazol-1-ol; In methanol; sodium hydroxide; dichloromethane;

upstream raw materials:

3-(3,4-dichloro-phenyl)-piperazin-2-one

methyl 2-(3,4-dichlorophenyl)acetate

α-bromo-3,4-dichlorophenylacetic acid methyl ester

BOC-glycine

Downstream raw materials:

2-(R,S)-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazine

(+/-)-2-(3,4-dichlorophenyl)-4-[(4-fluoro-1-naphthalenyl)carbonyl]-1-[[[1-(phenylmethyl)-4-piperidinyl]amino]acetyl]piperazine

Refernces

• 1、 Blythin, David J.,Chen, Xiao,Piwinski, John J.,Shih, Neng-Yang,Shue, Ho-Jane,Anthes, John C.,McPhail, Andrew T.. "Synthesis and NK1/NK2 binding activities of a series of diacyl-substituted 2-arylpiperazines". . p. 3161 - 3165. Retrieved 2007/10/03.
• 2、 -. "PIPERAZINO DERIVATIVES AS NEUROKINN ANTAGONISTS". . . Retrieved 2008/06/13.