1-Piperazineethanol, 4-(3-chlorophenyl)-

Base Information

• Chemical Name: 1-Piperazineethanol, 4-(3-chlorophenyl)-
• CAS No.: 51941-10-7
• Molecular Formula: C12H17ClN2O
• Molecular Weight: 240.7292
• NSC Number: 87104
• DSSTox Substance ID: DTXSID30199916
• Nikkaji Number: J496.858A
• Wikidata: Q83072936
• ChEMBL ID: CHEMBL26540
• Mol file: 51941-10-7.mol

Synonyms:1-Piperazineethanol, 4-(3-chlorophenyl)-;51941-10-7;4-(3-Chlorophenyl)-1-piperazineethanol;2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol;CHEMBL26540;2-(4-(3-Chlorophenyl)piperazin-1-yl)ethanol;2-(4-(3-Chlorophenyl)-1-piperazinyl)ethanol;NSC87104;SCHEMBL7289093;DTXSID30199916;HYPXXPJLGDQJDV-UHFFFAOYSA-N;BDBM50005143;NSC 87104;NSC-87104;2-(4-m-chlorophenylpiperazino)-ethanol;2-(4-m-chlorophenyl-piperazino)-ethanol;2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethanol;2-[4-(3-chlorophenyl)piperazin-1-yl]ethan-1-ol;F1908-1911

Chemical Property of 1-Piperazineethanol, 4-(3-chlorophenyl)-

Chemical Property:

• Vapor Pressure: 5.05E-07mmHg at 25°C
• Boiling Point: 397.2°Cat760mmHg
• Flash Point: 194°C
• Density: 1.204g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 240.1029409
• Heavy Atom Count: 16
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCO)C2=CC(=CC=C2)Cl

Technology Process of 1-Piperazineethanol, 4-(3-chlorophenyl)-

There total 5 articles about 1-Piperazineethanol, 4-(3-chlorophenyl)- 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:

N-(m-chlorophenyl)piperazine (6640-24-0) + 2-bromoethanol (540-51-2) → 2-(4-m-chlorophenyl-piperazino)-ethanol (51941-10-7)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃;

DOI:10.1016/j.bmcl.2018.06.019

Reference yield:

potassium carbonate (584-08-7) + 1-(3-chlorophenyl)piperazine hydrochloride (13078-15-4,51639-49-7,65369-76-8) + 2-bromoethanol (540-51-2) → 2-(4-m-chlorophenyl-piperazino)-ethanol (51941-10-7)

Guidance literature:

In water; N,N-dimethyl-formamide;

Reference yield:

3-chloro-aniline (108-42-9) → 2-(4-m-chlorophenyl-piperazino)-ethanol (51941-10-7)

Guidance literature:

Multi-step reaction with 2 steps

2: methanol

With methanol;

DOI:10.1021/ja01636a034

upstream raw materials:

oxirane

N-(m-chlorophenyl)piperazine

3-chloro-aniline

potassium carbonate

Downstream raw materials:

1-[4-(3-chloro-phenyl)-piperazin-1-yl]-2-(2-nitro-benzoyloxy)-ethane

2-<4-(3-chlorophenyl)-1-piperazinyl>ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinecarboxylate

2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl methyl 2,6-dimethyl-4-(3-trifluoromethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

4-(2,3-Dichloro-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-{2-[4-(3-chloro-phenyl)-piperazin-1-yl]-ethyl} ester 5-methyl ester

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