1-(4-Chlorobutyl)-4-phenylpiperazine

Base Information

• Chemical Name: 1-(4-Chlorobutyl)-4-phenylpiperazine
• CAS No.: 113272-43-8
• Molecular Formula: C14H21ClN2
• Molecular Weight: 252.787
• DSSTox Substance ID: DTXSID50550141
• Wikidata: Q82429364
• Mol file: 113272-43-8.mol

Synonyms:113272-43-8;1-(4-CHLOROBUTYL)-4-PHENYLPIPERAZINE;DTXSID50550141;AKOS011021017

Chemical Property of 1-(4-Chlorobutyl)-4-phenylpiperazine

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 252.1393264
• Heavy Atom Count: 17
• Complexity: 196

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCCCCl)C2=CC=CC=C2

Technology Process of 1-(4-Chlorobutyl)-4-phenylpiperazine

There total 1 articles about 1-(4-Chlorobutyl)-4-phenylpiperazine 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: 79.0%

4-chlorobutyl bromide (6940-78-9) + 4-phenyl-1-piperazine (92-54-6) → 1-(4-chlorobutyl)-4-phenylpiperazine (113272-43-8)

Guidance literature:

With potassium carbonate; In acetonitrile; at 60 ℃; for 6h; Inert atmosphere;

Reference yield: 80.0%

1-(4-chlorobutyl)-4-phenylpiperazine (113272-43-8) → 1-(4-azidobutyl)-4-phenylpiperazine

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 60 ℃; for 6h;

Reference yield: 22.0%

1-(4-chlorobutyl)-4-phenylpiperazine (113272-43-8) + methyl 7-methoxy-3-oxo-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate (99013-55-5) → 2-Methoxy-7-oxo-8-[4-(4-phenyl-piperazin-1-yl)-butyl]-7,8-dihydro-6H-5-oxa-9-thia-benzocycloheptene-8-carboxylic acid methyl ester; hydrochloride (99013-81-7)

Guidance literature:

With potassium carbonate; potassium iodide; In 1,4-dioxane; for 4h; Heating;

DOI:10.1248/cpb.35.1930

upstream raw materials:

4-chlorobutyl bromide

4-phenyl-1-piperazine

Downstream raw materials:

2-Methoxy-7-oxo-8-[4-(4-phenyl-piperazin-1-yl)-butyl]-7,8-dihydro-6H-5-oxa-9-thia-benzocycloheptene-8-carboxylic acid methyl ester; hydrochloride

(7R,8S)-7-Hydroxy-2-methoxy-8-[4-(4-phenyl-piperazin-1-yl)-butyl]-7,8-dihydro-6H-5-oxa-9-thia-benzocycloheptene-8-carboxylic acid methyl ester; hydrochloride

(7S,8S)-7-Hydroxy-2-methoxy-8-[4-(4-phenyl-piperazin-1-yl)-butyl]-7,8-dihydro-6H-5-oxa-9-thia-benzocycloheptene-8-carboxylic acid methyl ester

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