1-[(4-Chlorophenyl)benzyl]piperazinium chloride

Base Information

• Chemical Name: 1-[(4-Chlorophenyl)benzyl]piperazinium chloride
• CAS No.: 894-56-4
• Molecular Formula: C₁₇H₁₉ClN₂*2ClH
• Molecular Weight: 359.726
• European Community (EC) Number: 212-972-5
• Mol file: 894-56-4.mol

Synonyms:1-[(4-CHLOROPHENYL)BENZYL]PIPERAZINIUM CHLORIDE;894-56-4;1-[(4-chlorophenyl)-phenylmethyl]piperazin-1-ium;chloride

Chemical Property of 1-[(4-Chlorophenyl)benzyl]piperazinium chloride

Chemical Property:

• Vapor Pressure: 1.53E-07mmHg at 25°C
• Boiling Point: 422.5°C at 760 mmHg
• Flash Point: 209.3°C
• PSA: 15.27000
• LogP: 4.40330
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 322.1003540
• Heavy Atom Count: 21
• Complexity: 277

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C[NH+](CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.[Cl-]

Technology Process of 1-[(4-Chlorophenyl)benzyl]piperazinium chloride

There total 4 articles about 1-[(4-Chlorophenyl)benzyl]piperazinium chloride 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: 85.4%

N-(4-chlorobenzhydryl)piperazine (303-26-4) → (R)-(-)-1-(4-chlorophenyl)-phenylmethyl-piperazine dihydrochloride (1031-92-1,894-56-4)

Guidance literature:

With hydrogenchloride; In ethyl acetate;

Reference yield:

1-[(4-chlorophenyl)phenylmethyl]-4-(tert-butoxycarbonyl)-piperazine (454217-55-1,454217-56-2,454217-59-5) + (+)-1-[(4-chlorophenyl)phenylmethyl]-4-(tert-butoxycarbonyl)piperazine-2D-(-)-O,O'-dibenzoyltartaric acid salt → (-)-1-[(4-chlorophenyl)phenylmethyl]piperazine dihydrochloride (1031-92-1,894-56-4)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In water; ethyl acetate; toluene;

Reference yield:

(-)-1-[(4-chlorophenyl)phenylmethyl]-4-(tert-butoxycarbonyl)-piperazine → (-)-1-[(4-chlorophenyl)phenylmethyl]piperazine dihydrochloride (1031-92-1,894-56-4)

Guidance literature:

With hydrogenchloride; In ethyl acetate; toluene; at 20 - 60 ℃; for 4.5h;

upstream raw materials:

1-[(4-chlorophenyl)phenylmethyl]-4-(tert-butoxycarbonyl)-piperazine

N-(4-chlorobenzhydryl)piperazine

Refernces

• 1、 -. "Optically active 4-(tert-butoxycarbonyl) piperazine compound, and method for producing the same". Example 10. . Retrieved 2008/06/13.