1-[2-(Propylsulfanyl)phenyl]piperazine

Base Information

• Chemical Name: 1-[2-(Propylsulfanyl)phenyl]piperazine
• CAS No.: 52605-47-7
• Molecular Formula: C13H20N2S
• Molecular Weight: 236.3763
• NSC Number: 104123
• DSSTox Substance ID: DTXSID50295681
• Wikidata: Q82035739

Synonyms:52605-47-7;NSC 104123;1-[2-(propylsulfanyl)phenyl]piperazine;NSC104123;SCHEMBL11633488;DTXSID50295681;NSC-104123

Chemical Property of 1-[2-(Propylsulfanyl)phenyl]piperazine

Chemical Property:

• Vapor Pressure: 1.18E-05mmHg at 25°C
• Boiling Point: 369.5°Cat760mmHg
• Flash Point: 177.3°C
• Density: 1.1g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 236.13471982
• Heavy Atom Count: 16
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCSC1=CC=CC=C1N2CCNCC2

Technology Process of 1-[2-(Propylsulfanyl)phenyl]piperazine

There total 1 articles about 1-[2-(Propylsulfanyl)phenyl]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:

2-(propylthio)aniline (79792-95-3) + bis(2-bromoethyl)amine hydrobromide (43204-63-3) → 1-(2-propylmercapto-phenyl)-piperazine (52605-47-7)

Guidance literature:

With chlorobenzene;

Reference yield:

5-bromo-1-pentanyl acetate (15848-22-3) + 1-(2-propylmercapto-phenyl)-piperazine (52605-47-7) → 5-[4-(2-propylmercapto-phenyl)-piperazino]-pentan-1-ol (13977-90-7)

Guidance literature:

With sodium methylate; potassium carbonate; acetone;

Reference yield:

1-(2-propylmercapto-phenyl)-piperazine (52605-47-7) → 3-[4-(2-propylmercapto-phenyl)-piperazino]-propan-1-ol (132647-24-6)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

upstream raw materials:

2-(propylthio)aniline

bis(2-bromoethyl)amine hydrobromide

Downstream raw materials:

5-[4-(2-propylmercapto-phenyl)-piperazino]-pentylamine

4-[4-(2-propylmercapto-phenyl)-piperazino]-butan-1-ol

5-[4-(2-propylmercapto-phenyl)-piperazino]-pentan-1-ol

1-(5-ethylcarbamoyloxy-pentyl)-4-(2-propylmercapto-phenyl)-piperazine

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