N,N-dimethylpiperazine-1-sulfonamide

Base Information

• Chemical Name: N,N-dimethylpiperazine-1-sulfonamide
• CAS No.: 98961-97-8
• Molecular Formula: C6H15 N3 O2 S
• Molecular Weight: 193.27
• Hs Code.: 2935009090
• European Community (EC) Number: 674-593-5
• DSSTox Substance ID: DTXSID40360256
• Nikkaji Number: J1.273.276G
• Wikidata: Q72468842
• Mol file: 98961-97-8.mol

Synonyms:N,N-dimethylpiperazine-1-sulfonamide;98961-97-8;Piperazine-1-sulfonic acid dimethylamide;piperazine-1-sulphonic acid dimethylamide;piperazine-1-sulfonic acid dimethyl amide;N,N-dimethyl-1-piperazinesulfonamide;1-Piperazinesulfonamide, N,N-dimethyl-;N,N-Diemthyl-1-piperazinesulfonamide;PIPERAZINE-1-SULFONICACIDDIMETHYLAMIDE;dimethylsulfamoyl piperazine;SCHEMBL92539;F1757-0250;DTXSID40360256;NQZDGTYTTVHKPE-UHFFFAOYSA-N;HMS1692D17;MFCD04972523;STK927573;n,n-dimethyl-1-piperazine sulfonamide;AKOS000270535;AB21153;AC-13217;FT-0723039;EN300-31923;VU0494501-1;C16866;A845936;N,N-dimethyl-1-piperazine sulfonamide, AldrichCPR;Z274554762

Chemical Property of N,N-dimethylpiperazine-1-sulfonamide

Chemical Property:

• Vapor Pressure: 0.000455mmHg at 25°C
• Melting Point: 54-56掳C
• Boiling Point: 314.8vat 760 mmHg
• PKA: 8.23±0.10(Predicted)
• Flash Point: 144.2 ºC
• PSA: 61.03000
• Density: 1.28 g/cm³
• LogP: 0.04550
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 193.08849790
• Heavy Atom Count: 12
• Complexity: 226

Purity/Quality:

98%min ^*data from raw suppliers

N,N-Dimethylpiperazine-1-sulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)S(=O)(=O)N1CCNCC1

Technology Process of N,N-dimethylpiperazine-1-sulfonamide

There total 4 articles about N,N-dimethylpiperazine-1-sulfonamide 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%

dimethylamino sulfonyl chloride (13360-57-1) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → piperazine-1-sulfonic acid dimethylamide (98961-97-8)

Guidance literature:

dimethylamino sulfonyl chloride; 1-t-Butoxycarbonylpiperazine; With triethylamine; In tetrahydrofuran; at 0 ℃; for 1h;

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 48h;

With sodium hydroxide; In dichloromethane; water;

Reference yield: 87.33%

(S)-6'-chloro-N-((R)-hept-6-en-3-ylsulfonyl)-5-((2-((S)-1-hydroxyallyl)-2-methylcyclobutyl)methyl)-3',4,4',5-tetrahydro-2H,2’H-spiro[benzo[b][1,4]oxazepine-3,1’-naphthalene]-7-carboxamide (253176-45-3) → piperazine-1-sulfonic acid dimethylamide (98961-97-8)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmc.2016.03.049

Reference yield: 73.0%

piperazine (110-85-0) + dimethylamino sulfonyl chloride (13360-57-1) → piperazine-1-sulfonic acid dimethylamide (98961-97-8)

Guidance literature:

With potassium carbonate; In ethanol; at 0 ℃; for 0.5h;

upstream raw materials:

piperazine

dimethylamino sulfonyl chloride

(S)-6'-chloro-N-((R)-hept-6-en-3-ylsulfonyl)-5-((2-((S)-1-hydroxyallyl)-2-methylcyclobutyl)methyl)-3',4,4',5-tetrahydro-2H,2’H-spiro[benzo[b][1,4]oxazepine-3,1’-naphthalene]-7-carboxamide

1-t-Butoxycarbonylpiperazine

Downstream raw materials:

4-[4-(1-benzyloxy-(R)-ethyl)-6-chloro-[1,3,5]triazin-2-yl]piperazine-1-sulfonic acid dimethylamide

N,N-dimethyl-4-(pyrimidin-2-yl)piperazine-1-sulfonamide

4-{4-[(R)-1-(N-isobutyl-1-phenylmethylsulfonamido)-ethyl]-phenyl}-piperazine-1-sulfonic acid N,N-dimethylamide

4-{4-[(S)-1-(N-isobutyl-1-phenylmethylsulfonamido)-ethyl]-phenyl}-piperazine-1-sulfonic acid N,N-dimethylamide

Refernces

• 1、 Jin, Hongxia,Randazzo, James,Zhang, Peng,Kador, Peter F.. "Multifunctional antioxidants for the treatment of age-related diseases". scheme or table. p. 1117 - 1127. Retrieved 2010/08/05.
• 2、 -. "CARBAMATE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS". Page/Page column 14. . Retrieved 2008/06/13.