1-(4-Benzylpiperazin-1-yl)-2-chloroethanone

Base Information

Chemical Name:1-(4-Benzylpiperazin-1-yl)-2-chloroethanone
CAS No.:56056-37-2
Molecular Formula:C13H17ClN2O
Molecular Weight:252.744
Hs Code.:2933599090
DSSTox Substance ID:DTXSID00364210
Wikidata:Q82148041
Mol file:56056-37-2.mol

Synonyms:56056-37-2;1-(4-benzylpiperazin-1-yl)-2-chloroethanone;1-(4-Benzyl-piperazin-1-yl)-2-chloro-ethanone;1-Benzyl-4-(chloroacetyl)piperazine;SCHEMBL5064043;DTXSID00364210;BBL029535;MFCD01964635;STL371953;AKOS000113668;UPCMLD0ENAT5957933:001;CS-0118881

Suppliers and Price of 1-(4-Benzylpiperazin-1-yl)-2-chloroethanone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Matrix Scientific
1-(4-Benzyl-piperazin-1-yl)-2-chloro-ethanone
1g
$ 378.00

Matrix Scientific
1-(4-Benzyl-piperazin-1-yl)-2-chloro-ethanone
500mg
$ 211.00

American Custom Chemicals Corporation
1-(4-BENZYL-PIPERAZIN-1-YL)-2-CHLORO-ETHANONE 95.00%
500MG
$ 777.32

AK Scientific
1-(4-Benzyl-piperazin-1-yl)-2-chloro-ethanone
1g
$ 560.00

Total 5 raw suppliers

Chemical Property of 1-(4-Benzylpiperazin-1-yl)-2-chloroethanone

Chemical Property:

Melting Point:62-64 °C
Boiling Point:385.0±42.0 °C(Predicted)
PKA:6.29±0.10(Predicted)
PSA：23.55000
Density:1.206±0.06 g/cm3(Predicted)
LogP:1.44540
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:252.1029409
Heavy Atom Count:17
Complexity:246

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-Benzyl-piperazin-1-yl)-2-chloro-ethanone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCN1CC2=CC=CC=C2)C(=O)CCl

Technology Process of 1-(4-Benzylpiperazin-1-yl)-2-chloroethanone

There total 4 articles about 1-(4-Benzylpiperazin-1-yl)-2-chloroethanone 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: 100.0%

: 2759-28-6
1-phenylmethylpiperazine

: 79-04-9
chloroacetyl chloride

: 56056-37-2
1-benzyl-4-(2-chloroacetyl)piperazine

Guidance literature:: In dichloromethane; at 0 - 20 ℃; for 0.5h;
DOI:10.1021/acs.jmedchem.1c00417

Reference yield:

: 57260-70-5
4-benzyl-piperazine-1-carboxylic acid tert-butyl ester

: 56056-37-2
1-benzyl-4-(2-chloroacetyl)piperazine

Guidance literature:: Multi-step reaction with 2 steps

1: hydrogenchloride / 1,4-dioxane / 16 h / 20 °C

2: dichloromethane / 16 h / 0 - 20 °C

With hydrogenchloride; In 1,4-dioxane; dichloromethane;
DOI:10.1016/j.bioorg.2021.104982

Reference yield:

: 100-44-7
benzyl chloride

: 56056-37-2
1-benzyl-4-(2-chloroacetyl)piperazine

Guidance literature:: Multi-step reaction with 2 steps

1: tetrahydrofuran / 4 h / Reflux

2: dichloromethane / 0 - 20 °C

In tetrahydrofuran; dichloromethane;
DOI:10.1016/j.ejmech.2011.01.020