Tert-butyl 2-(chlorosulfonyl)ethylcarbamate

Base Information

• Chemical Name: Tert-butyl 2-(chlorosulfonyl)ethylcarbamate
• CAS No.: 134019-73-1
• Molecular Formula: C7H14ClNO4S
• Molecular Weight: 243.711
• European Community (EC) Number: 968-576-4
• DSSTox Substance ID: DTXSID00590810
• Wikidata: Q82484445
• Mol file: 134019-73-1.mol

Synonyms:134019-73-1;TERT-BUTYL 2-(CHLOROSULFONYL)ETHYLCARBAMATE;2-(Boc-amino)ethanesulfonyl Chloride;tert-butyl N-(2-chlorosulfonylethyl)carbamate;tert-Butyl [2-(chlorosulfonyl)ethyl]carbamate;tert-Butyl (2-(chlorosulfonyl)ethyl)carbamate;SCHEMBL6402383;DTXSID00590810;PCEAZBVTZGTIEC-UHFFFAOYSA-N;AC3858;MFCD08752509;AKOS006334840;AB48921;DA-11988;SY237568;tert-Butyl(2-(chlorosulfonyl)ethyl)carbamate;EN300-244999;TERT-BUTYL N-[2-(CHLOROSULFONYL)ETHYL]CARBAMATE

Chemical Property of Tert-butyl 2-(chlorosulfonyl)ethylcarbamate

Chemical Property:

• Boiling Point: 337.4±25.0 °C(Predicted)
• PKA: 11.17±0.46(Predicted)
• PSA: 80.85000
• Density: 1.290±0.06 g/cm3(Predicted)
• LogP: 2.55140
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 243.0332068
• Heavy Atom Count: 14
• Complexity: 288

Purity/Quality:

97% ^*data from raw suppliers

TERT-BUTYL-2-(CHLOROSULFONYL)ETHYLCARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Tert-butyl 2-(chlorosulfonyl)ethylcarbamate

There total 8 articles about Tert-butyl 2-(chlorosulfonyl)ethylcarbamate 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: 90.0%

tetrabutylammonium 2-((tert-butoxycarbonyl)amino)ethane-1-sulfonate salt (168984-74-5) → ?tert-butyl [2-(chlorosulfonyl)ethyl]carbamate (134019-73-1)

Guidance literature:

With bis(trichloromethyl) carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(96)00565-3

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → ?tert-butyl [2-(chlorosulfonyl)ethyl]carbamate (134019-73-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent

2: 90 percent / triphosgene / dimethylformamide

With bis(trichloromethyl) carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(96)00565-3

Reference yield:

di-tert-butyl(disulfanediylbis(ethane-2,1-diyl))dicarbamate (67385-10-8) → ?tert-butyl [2-(chlorosulfonyl)ethyl]carbamate (134019-73-1)

Guidance literature:

With acetic anhydride; chlorine; In dichloromethane; at -10 ℃; for 4h;

DOI:10.1016/S0040-4020(01)86293-1

upstream raw materials:

di-tert-butyl(disulfanediylbis(ethane-2,1-diyl))dicarbamate

tetrabutylammonium 2-((tert-butoxycarbonyl)amino)ethane-1-sulfonate salt

di-tert-butyl dicarbonate

2-[(tert-butoxycarbonyl)amino]-1-ethanethiol

Downstream raw materials:

[2-(2-Benzylsulfamoyl-ethylsulfamoyl)-ethyl]-carbamic acid tert-butyl ester

(2-Benzylsulfamoyl-ethyl)-carbamic acid tert-butyl ester

N-(tert-butyloxycarbonyl)amino-ethane-sulfonyl-phenylalanine-methylester

3,5-Bis-[(2-tert-butoxycarbonylamino-ethanesulfonylamino)-methyl]-benzoic acid methyl ester