1-(4-Chlorophenyl)piperazine

Base Information

• Chemical Name: 1-(4-Chlorophenyl)piperazine
• CAS No.: 38212-33-8
• Molecular Formula: C10H13ClN2
• Molecular Weight: 196.68
• Hs Code.: 29339900
• European Community (EC) Number: 627-233-6
• NSC Number: 126708
• UNII: FMD47JE5C3
• DSSTox Substance ID: DTXSID90191592
• Nikkaji Number: J253.123B
• Wikipedia: Para-Chlorophenylpiperazine
• Wikidata: Q7133612
• ChEMBL ID: CHEMBL114478
• Mol file: 38212-33-8.mol

Synonyms:1-(4-chlorophenyl)piperazine;1-(4-chlorophenyl)piperazine dihydrobromide;1-(4-chlorophenyl)piperazine dihydrochloride;1-(para-chlorophenyl)piperazine

Chemical Property of 1-(4-Chlorophenyl)piperazine

Chemical Property:

• Appearance/Colour: light yellow crystalline powder
• Vapor Pressure: 0.000113mmHg at 25°C
• Melting Point: 76-79 °C
• Refractive Index: 1.557
• Boiling Point: 336.3 °C at 760 mmHg
• PKA: 8.88±0.10(Predicted)
• Flash Point: 157.2 °C
• PSA: 15.27000
• Density: 1.159 g/cm³
• LogP: 2.14340
• Water Solubility.: It is soluble in water.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 196.0767261
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

98.0% Min., ^*data from raw suppliers

1-(4-Chlorophenyl)piperazine 98.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC=C(C=C2)Cl
• Uses: 1-(4-Chlorophenyl)piperazine is used as a 5-HT-1 serotonin receptor agonist. It is also used as a pharmaceutical intermediate.

Technology Process of 1-(4-Chlorophenyl)piperazine

There total 15 articles about 1-(4-Chlorophenyl)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: 99.0%

→ 4-(4-chlorophenyl) piperazine (38212-33-8)

Guidance literature:

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

Reference yield: 93.0%

1-(4-chlorophenyl)piperazine hydrochloride (13078-12-1) → 4-(4-chlorophenyl) piperazine (38212-33-8)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 0.5h; pH=11 - 12;

DOI:10.1111/cbdd.13324

Reference yield: 87.0%

bis-(2-chloroethyl)amine hydrochloride (821-48-7) + 4-chloro-aniline (106-47-8) → 4-(4-chlorophenyl) piperazine (38212-33-8)

Guidance literature:

In various solvent(s); at 150 ℃;

DOI:10.1016/j.tetlet.2005.09.092

upstream raw materials:

4-chloro-aniline

2,2'-iminobis[ethanol]

N,N-bis(chloro-2-ethyl)amine

piperazine

Downstream raw materials:

2-(4-(4-chlorophenyl)piperazin-1-yl)ethanol

1-[4-(4-chloro-phenyl)-piperazino]-3-p-tolyloxy-propan-2-ol

1-(4-chloro-phenyl)-4-dichloroacetyl-piperazine

1-[4-(4-chloro-phenyl)-piperazino]-3-phenylsulfanyl-propan-2-ol

Refernces

• 1、 -. "MONOACYLGLYCEROL LIPASE INHIBITORS". Paragraph 0111-0112; 0141; 0153-0154; 0169-0170. . Retrieved 2021/09/09.
• 2、 Zhou, Benhua,Hong, Kwon Ho,Ji, Min,Cai, Jin. "Design, synthesis, and biological evaluation of structurally constrained hybrid analogues containing ropinirole moiety as a novel class of potent and selective dopamine D3 receptor ligands". . p. 1597 - 1609. Retrieved 2018/07/31.