1-[(1S)-Phenylethyl]piperazine

Base Information

• Chemical Name: 1-[(1S)-Phenylethyl]piperazine
• CAS No.: 759457-60-8
• Molecular Formula: C₁₂H₁₈N₂
• Molecular Weight: 190.288
• DSSTox Substance ID: DTXSID00355567
• Wikidata: Q82134549
• Mol file: 759457-60-8.mol

Synonyms:1-[(1S)-Phenylethyl]piperazine;759457-60-8;1-[(1S)-1-phenylethyl]piperazine;SCHEMBL3956861;DTXSID00355567;MFCD16036192;AKOS016339775;SS-3510

Chemical Property of 1-[(1S)-Phenylethyl]piperazine

Chemical Property:

• Vapor Pressure: 0.00451mmHg at 25°C
• Refractive Index: 1.538
• Boiling Point: 277.5°C at 760 mmHg
• Flash Point: 109.1°C
• PSA: 15.27000
• Density: 1.006g/cm³
• LogP: 1.91950
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.146998583
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

1-[(1S)-1-PHENYLETHYL]PIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)N2CCNCC2
• Isomeric SMILES: C[C@@H](C1=CC=CC=C1)N2CCNCC2

Technology Process of 1-[(1S)-Phenylethyl]piperazine

There total 11 articles about 1-[(1S)-Phenylethyl]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: 85.0%

(S)-1-(1-phenylethyl)-4-(4-methylbenzenesulfonyl)piperazine → 1-[(S)-1-phenylethyl]piperazine (759457-60-8)

Guidance literature:

With hydrogen bromide; acetic acid; 4-hydroxy-benzoic acid; at 20 ℃; for 72h;

DOI:10.1021/jacs.5b11288

Reference yield: 80.0%

(R)-1-(1-phenylethyl)-4-(4-methylbenzenesulfonyl)piperazine → 1-[(R)-1-phenylethyl]piperazine (773848-51-4,759457-60-8)

Guidance literature:

With hydrogen bromide; acetic acid; 4-hydroxy-benzoic acid; at 20 ℃; for 72h;

DOI:10.1021/jacs.5b11288

Reference yield: 67.0%

→ 1-phenylethyl piperazine (69628-75-7,759457-60-8)

Guidance literature:

upstream raw materials:

1-(α-Phenylethyl)-4-formylpiperazine

piperazine

acetophenone

1-Phenylethanol

Downstream raw materials:

C₆H₁₅N*C₁₃H₁₈N₂S₂

(2,4-dinitrophenyl) 4-(1-phenylethyl)piperazine-1-carbodithioate

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