4-(Chloroacetyl)-1-methylpiperazin-1-ium

Base Information

• Chemical Name: 4-(Chloroacetyl)-1-methylpiperazin-1-ium
• CAS No.: 40340-73-6
• Molecular Formula: C7H13ClN2O
• Molecular Weight: 176.646
• Hs Code.: 29335990
• DSSTox Substance ID: DTXSID10960767
• Wikidata: Q82942019
• Mol file: 40340-73-6.mol

Synonyms:DTXSID10960767;4-(Chloroacetyl)-1-methylpiperazin-1-ium

Chemical Property of 4-(Chloroacetyl)-1-methylpiperazin-1-ium

Chemical Property:

• Vapor Pressure: 0.00427mmHg at 25°C
• Melting Point: 195.5～196℃
• Refractive Index: 1.498
• Boiling Point: 278.4 °C at 760 mmHg
• Flash Point: 122.2 °C
• PSA: 23.55000
• Density: 1.168 g/cm³
• LogP: -0.12500
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 177.0794658
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

99.0%Min ^*data from raw suppliers

1-(chloroacetyl)-4-methylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH+]1CCN(CC1)C(=O)CCl
• Uses: 1-(Chloroacetyl)-4-methylpiperazine is a reagent in the preparation of 2-?substituted benzimidazoles with potential anthelmintic properties.

Technology Process of 4-(Chloroacetyl)-1-methylpiperazin-1-ium

There total 2 articles about 4-(Chloroacetyl)-1-methylpiperazin-1-ium 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: 84.0%

1-methyl-piperazine (109-01-3) + chloroacetyl chloride (79-04-9) → 1-(chloroacetyl)-4-methylpiperazine (40340-73-6)

Guidance literature:

In diethyl ether; for 3h; Ambient temperature;

DOI:10.1002/jhet.5570310207

Reference yield:

→ 1-(chloroacetyl)-4-methylpiperazine (40340-73-6)

Guidance literature:

N-Methyl-piperazin, abs. Ae. (0grad), ether. Chloracetylchlorid (20grad, 14 h);

Reference yield: 79.0%

2-(4-ethoxyphenyl)-6-(5-mercapto-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole + 1-(chloroacetyl)-4-methylpiperazine (40340-73-6) → 2-((5-(2-(4-ethoxyphenyl)-1H-benzo[d]imidazole-6-yl)-1,3,4-oxadiazole-2-yl)thio)-1-(4-methylpiperazine-1-yl)-ethane-1-one

Guidance literature:

With potassium carbonate; In acetone; for 6h; Reflux;

DOI:10.1080/14756366.2020.1806831

upstream raw materials:

1-methyl-piperazine

chloroacetyl chloride

Downstream raw materials:

1-Methyl-4-(4-benzylpiperazine-1-ylacetyl)piperazine

Benzoic acid 2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl ester

2-Methyl-3-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethoxy]-5-[1-phenyl-meth-(E)-ylidene]-3,5-dihydro-imidazol-4-one

1-(piperazin-1-ylacetyl)-4-methylpiperazine

Refernces

• 1、 Acar ?evik, Ulviye,Atl? Eklio?lu, ?zlem,Atl?d, ?zlem,Kaplanc?kl?, Zafer As?m,Karaduman, Abdullah Burak,Kaya ?avu?o?lu, Betül,Levent, Serkan,Osmaniye, Derya,Sa?l?k, Begüm Nurpelin. "Synthesis, anticancer evaluation and molecular docking studies of new benzimidazole- 1,3,4-oxadiazole derivatives as human topoisomerase types I poison". . p. 1657 - 1673. Retrieved 2020/08/21.
• 2、 -. "A quinazoline derivative and its preparation method and application (by machine translation)". Paragraph 0110-0113. . Retrieved 2019/02/26.