4-methylpiperazine-1-sulfonyl Chloride

Base Information

• Chemical Name: 4-methylpiperazine-1-sulfonyl Chloride
• CAS No.: 1688-95-5
• Molecular Formula: C5H11ClN2O2S
• Molecular Weight: 198.674
• Hs Code.: 2933599090
• European Community (EC) Number: 867-354-3
• DSSTox Substance ID: DTXSID40457579
• Wikidata: Q82280468
• Mol file: 1688-95-5.mol

Synonyms:4-methylpiperazine-1-sulfonyl Chloride;1688-95-5;4-Methyl-1-piperazinesulfonyl Chloride;1-Piperazinesulfonyl chloride, 4-methyl-;MFCD09731871;4-methyl-piperazin-1-ylsulphonyl chloride;4-Methyl-1-piperazinesulfonylChloride;SCHEMBL1606347;DTXSID40457579;GDYYZWFHNRVHCC-UHFFFAOYSA-N;AKOS000140464;GS-5987;MB07486;4-methyl-piperazine-1-sulfonyl chloride;4-methylpiperazin-1-ylsulfonyl chloride;4-Methyl-1-piperazinylsulphonyl chloride;SY016949;CS-0447815;FT-0766158;EN300-57965;4-Methylpiperazine-1-sulfonyl chloride, AldrichCPR

Chemical Property of 4-methylpiperazine-1-sulfonyl Chloride

Chemical Property:

• Vapor Pressure: 0.00343mmHg at 25°C
• Boiling Point: 282.1oC at 760 mmHg
• PKA: 5.40±0.42(Predicted)
• Flash Point: 124.4oC
• PSA: 49.00000
• Density: 1.44g/cm3
• LogP: 0.67400
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 198.0229765
• Heavy Atom Count: 11
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

4-Methylpiperazine-1-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)S(=O)(=O)Cl

Technology Process of 4-methylpiperazine-1-sulfonyl Chloride

There total 4 articles about 4-methylpiperazine-1-sulfonyl 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: 83.0%

1-methyl-piperazine (109-01-3) → 4-methyl-piperazin-1-ylsulphonyl chloride (1688-95-5)

Guidance literature:

With thionyl chloride; triethylamine; In dichloromethane; at 0 ℃; for 2h;

Reference yield: 75.0%

4-methyl-piperazin-1-sulfonic acid (116833-23-9) → 4-methyl-piperazin-1-ylsulphonyl chloride (1688-95-5)

Guidance literature:

With phosphorus trichloride; In trichlorophosphate; for 3h; Heating / reflux;

Reference yield:

sodium; 4-methyl-piperazine-1-sulfonate → 4-methyl-piperazin-1-ylsulphonyl chloride (1688-95-5)

Guidance literature:

With trichlorophosphate; In 1,2-dichloro-ethane; at 80 ℃; for 18h;

DOI:10.1016/j.bmcl.2004.03.089

upstream raw materials:

4-methyl-piperazin-1-sulfonic acid

1-methyl-piperazine

Downstream raw materials:

N-(4-fluorobenzyl)-3-hydroxy-9-{methyl[(4-methylpiperazin-1-yl)sulfonyl]amino}-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide

C₂₂H₂₉FN₆O₅S

C₂₂H₂₉FN₆O₅S

2-((4-methylpiperazin-1-yl)sulfonyl)-1-phenylethan-1-one

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