Tert-butyl chlorosulfonylcarbamate

Base Information

• Chemical Name: Tert-butyl chlorosulfonylcarbamate
• CAS No.: 147000-89-3
• Molecular Formula: C5H10ClNO4S
• Molecular Weight: 215.658
• European Community (EC) Number: 899-761-7
• Nikkaji Number: J1.259.459C
• Mol file: 147000-89-3.mol

Synonyms:147000-89-3;tert-butyl chlorosulfonylcarbamate;tert-butyl N-chlorosulfonylcarbamate;Carbamic acid, N-(chlorosulfonyl)-, 1,1-dimethylethyl ester;N-Boc-sulfamoyl chloride;tert-butyl N-(chlorosulfonyl)carbamate;tert-Butyl (chlorosulfonyl)carbamate;MFCD15475085;tert-butyl(chlorosulfonyl)carbamate;tert-butyl[chlorosulfonyl]carbamate;tert-butyl [chlorosulfonyl]carbamate;n-(tert-butoxycarbonyl)sulfamoyl chloride;n-boc chlorosulfonamide;Cl-SO2-NH-Boc;N-Boc sulfamoyl chloride;SCHEMBL192415;t-butyl(chlorosulfonyl)carbamate;tert-butylchlorosulfonylcarbamate;tertbuyl[chlorosulfonyl]carbamate;tert butyl chlorosulfonylcarbamate;KAJZZLBZXOBEMD-UHFFFAOYSA-N;tert-butyl (chlorosulfonyl) carbamate;AKOS006333628;N-tert-butoxycarbonylsulfamoyl chloride;BS-52475;SY024657;CS-0147276;EN300-118173;F20722;[(1,1-dimethylethoxy)carbonyl]-sulfamoyl chloride;A929258;N-(Chlorosulfonyl)-carbamic acid 1,1-dimethylethyl ester;[(tert-Butoxycarbonyl)amino](chloro)dioxo-lambda6-sulfane;Chloro[[(1,1-dimethylethoxy)carbonyl]amino]-sulfane dioxide

Chemical Property of Tert-butyl chlorosulfonylcarbamate

Chemical Property:

• PKA: 0.65±0.40(Predicted)
• PSA: 84.34000
• Density: 1.383±0.06 g/cm3(Predicted)
• LogP: 2.27990
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 215.0019067
• Heavy Atom Count: 12
• Complexity: 260

Purity/Quality:

99% ^*data from raw suppliers

tert-butylN-chlorosulfonylcarbamate 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl chlorosulfonylcarbamate

There total 4 articles about Tert-butyl chlorosulfonylcarbamate 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%

isocyanate de chlorosulfonyle (1189-71-5) + tert-butyl alcohol (75-65-0) → N-tert-butyloxycarbonylsulfamoyl chloride (147000-89-3)

Guidance literature:

In dichloromethane;

DOI:10.1007/s00726-009-0267-2

Reference yield:

isocyanate de chlorosulfonyle (1189-71-5) → N-tert-butyloxycarbonylsulfamoyl chloride (147000-89-3)

Guidance literature:

With tert-butyl alcohol; In dichloromethane; at 0 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2021.127781

Reference yield:

tert-butyl alcohol (75-65-0) → N-tert-butyloxycarbonylsulfamoyl chloride (147000-89-3)

Guidance literature:

In dichloromethane;

upstream raw materials:

isocyanate de chlorosulfonyle

tert-butyl alcohol

Downstream raw materials:

C₁₆H₂₄N₂O₇S

N-[2-benzyloxy-4-(2,5-dioxo-2,3,4,5-tetrahydro-1H-benzo[1,4]diazepin-3-ylmethyl)-phenyl]-N-[t-butyloxycarbonylaminosulfonyl]-amino-acetic acid ethyl ester

N-(tert-butoxycarbonyl)-N'-(methyl)sulfamide

tert-butyl 3-(3-(3-(imidazo[1,2-a]pyridine-3-carboxamido)-4-methylphenyl)-1,2,4-oxadiazol-5-yl)azetidin-1-ylsulfonylcarbamate

Refernces

• 1、 Tozer, Matthew J.,Buck, Ildiko M.,Cooke, Tracey,Barret Kalindjian,McDonald, Iain M.,Pether, Michael J.,Steel, Katherine I. M.. "4-Chlorobenzyl sulfonamide and sulfamide derivatives of histamine homologues: The design of potent histamine H3 receptor antagonists". . p. 3103 - 3108. Retrieved 1999.
• 2、 Benltifa, Mahmoud,Garcia Moreno, M. Isabel,Ortiz Mellet, Carmen,Garcia Fernandez, Jose M.,Wadouachi, Anne. "Synthesis and evaluation of sulfamide-type indolizidines as glycosidase inhibitors". . p. 2805 - 2808. Retrieved 2008.
• 3、 Angeli, Andrea,Ferraroni, Marta,Kalinin, Stanislav,Korsakov, Mikhail,Krasavin, Mikhail,Nocentini, Alessio,Sharonova, Tatiana,Supuran, Claudiu T.,Zhmurov, Petr. "Diversely substituted sulfamides for fragment-based drug discovery of carbonic anhydrase inhibitors: synthesis and inhibitory profile". . p. 857 - 865. Retrieved 2022/03/27.
• 4、 Paquet-C?té, Pierre-Alexandre,Alejaldre, Lorea,Lapointe Verreault, Camille,Gobeil, Sophie M.C.,Lamoureux, Rosalie,Bédard, Laurie,Normandeau, Charles-Olivier,Lemay-St-Denis, Claudèle,Pelletier, Joelle N.,Voyer, Normand. "Development of sulfahydantoin derivatives as β-lactamase inhibitors". supporting information. . Retrieved 2021/01/25.