1-Benzyl-3-butylpiperazine

Base Information

• Chemical Name: 1-Benzyl-3-butylpiperazine
• CAS No.: 175357-61-6
• Molecular Formula: C15H24 N2
• Molecular Weight: 232.369
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID00938657
• Mol file: 175357-61-6.mol

Synonyms:1-Benzyl-3-butylpiperazine;175357-61-6;186412-45-3;(S)-1-benzyl-3-butylpiperazine;DALAPON-METHYLESTER;SCHEMBL8152771;DTXSID00938657;AKOS022181229;DB-065098;DB-065563;DB-079410;A26349

Chemical Property of 1-Benzyl-3-butylpiperazine

Chemical Property:

• Vapor Pressure: 0.000156mmHg at 25°C
• Refractive Index: 1.515
• Boiling Point: 331.5°Cat760mmHg
• Flash Point: 118.8°C
• PSA: 15.27000
• Density: 0.958g/cm³
• LogP: 2.91730
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 232.193948774
• Heavy Atom Count: 17
• Complexity: 199

Purity/Quality:

97% ^*data from raw suppliers

1-BENZYL-3-BUTYLPIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1CN(CCN1)CC2=CC=CC=C2

Technology Process of 1-Benzyl-3-butylpiperazine

There total 5 articles about 1-Benzyl-3-butylpiperazine 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:

1-Benzyl-3(S)-n-butylpiperazine-2,5-dione (169447-74-9) → (S)-1-Benzyl-3-butyl-piperazine (175357-61-6,186412-45-3,928025-42-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 15h; Heating;

DOI:10.1021/jm9508090

Reference yield:

ethyl 2-(benzylamino)acetate (6436-90-4) → (S)-1-Benzyl-3-butyl-piperazine (175357-61-6,186412-45-3,928025-42-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 100 percent / DCC / CH₂Cl₂ / 18 h

2: 1.) aq. HCl, 2.) aq. NaHCO₃ / 1.) CHCl₃

3: LiAlH₄ / tetrahydrofuran / 15 h / Heating

With hydrogenchloride; lithium aluminium tetrahydride; sodium hydrogencarbonate; dicyclohexyl-carbodiimide; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm9508090

Reference yield:

Boc-Nle-OH (6404-28-0) → (S)-1-Benzyl-3-butyl-piperazine (175357-61-6,186412-45-3,928025-42-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 100 percent / DCC / CH₂Cl₂ / 18 h

2: 1.) aq. HCl, 2.) aq. NaHCO₃ / 1.) CHCl₃

3: LiAlH₄ / tetrahydrofuran / 15 h / Heating

With hydrogenchloride; lithium aluminium tetrahydride; sodium hydrogencarbonate; dicyclohexyl-carbodiimide; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm9508090

upstream raw materials:

1-Benzyl-3(S)-n-butylpiperazine-2,5-dione

ethyl 2-(benzylamino)acetate

Boc-Nle-OH

Downstream raw materials:

4-Benzyl-1-tert-butoxycarbonyl-2(S)-n-butylpiperazine

{(R)-1-[(S)-2-Butyl-4-(naphthalene-1-carbonyl)-piperazin-1-ylmethyl]-2-tritylsulfanyl-ethyl}-carbamic acid tert-butyl ester

{(R)-1-[(S)-2-Butyl-4-(2,3-dimethyl-benzoyl)-piperazin-1-ylmethyl]-2-tritylsulfanyl-ethyl}-carbamic acid tert-butyl ester

1-tert-butoxycarbonyl-2(S)-n-butyl-4-(2,3-dimethylbenzoyl)piperazine

Refernces

• 1、 -. "17-Beta hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases". Page 17. . Retrieved 2010/02/05.