tert-Butylsulfamoyl chloride

Base Information

• Chemical Name: tert-Butylsulfamoyl chloride
• CAS No.: 33581-95-2
• Molecular Formula: C4H10ClNO2S
• Molecular Weight: 171.648
• Hs Code.: 2935909099
• European Community (EC) Number: 692-248-7
• DSSTox Substance ID: DTXSID90506768
• Nikkaji Number: J3.345.345K
• Wikidata: Q82362677
• Mol file: 33581-95-2.mol

Synonyms:tert-Butylsulfamoyl chloride;33581-95-2;N-tert-butylsulfamoyl chloride;TERT-BUTYLSULFAMOYLCHLORIDE;t-butyl-sulfamoyl chloride;t-butylaminosulfonylchloride;tert-Butylsulfamyl chloride;t-butylaminosulfonyl chloride;t-butylamino sulfonyl chloride;SCHEMBL1723817;DTXSID90506768;WGBSTIRRHNSMRN-UHFFFAOYSA-N;(tert-butyl amino)sulfonyl chloride;MFCD11520377;AKOS006324727;FS-6415;tert-Butylsulfamoyl chloride, AldrichCPR;CS-0233436;EN300-133503

Chemical Property of tert-Butylsulfamoyl chloride

Chemical Property:

• Vapor Pressure: 0.106mmHg at 25°C
• Boiling Point: 67 °C(Press: 0.01 Torr)
• PKA: 7.98±0.40(Predicted)
• Density: 1.263±0.06 g/cm3(Predicted)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 171.0120774
• Heavy Atom Count: 9
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butylsulfamoylchloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)NS(=O)(=O)Cl

Technology Process of tert-Butylsulfamoyl chloride

There total 5 articles about tert-Butylsulfamoyl 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: 93.0%

tert-butylamine (75-64-9) → tert-butylsulfamyl chloride (33581-95-2)

Guidance literature:

With sulfuryl dichloride; In acetonitrile; for 24h; Reflux;

Reference yield: 64.0%

tert-butyl alcohol (75-65-0) → tert-butylsulfamyl chloride (33581-95-2)

Guidance literature:

With isocyanate de chlorosulfonyle; In hexane;

Reference yield:

isocyanate de chlorosulfonyle (1189-71-5) + tert-butyl alcohol (75-65-0) → tert-butylsulfamyl chloride (33581-95-2)

Guidance literature:

In hexane; for 1h; Heating;

DOI:10.1021/jo00323a021

upstream raw materials:

tert-butylamine hydrochloride

tert-butylamine

isocyanate de chlorosulfonyle

tert-butyl alcohol

Downstream raw materials:

N-<(1-ethyl-2-pyrrolidinyl)methyl>-2-methoxy-4-methyl-5-<(tert-butylsulfamoyl)amino>benzamide

tert-butyl (3R)-3-[3-({[(tert-butylamino)sulfonyl]amino}methyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate

1,4-bis-(2-t-butylsulfamido-2-propyl)benzene

1,3,5-tris-(2-t-butylsulfamido-2-propyl)benzene

Refernces

• 1、 Blackburn, J. Miles,Short, Melanie A.,Castanheiro, Thomas,Ayer, Suraj K.,Muellers, Tobias D.,Roizen, Jennifer L.. "Synthesis of N-Substituted Sulfamate Esters from Sulfamic Acid Salts by Activation with Triphenylphosphine Ditriflate". . p. 6012 - 6015. Retrieved 2017.
• 2、 -. "NOVEL FLUORINATED CYCLIC SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND THEIR METHOD OF USE". Paragraph 0113. . Retrieved 2013/03/26.