tert-Butyl (4-(chlorosulfonyl)phenyl)carbamate

Base Information

• Chemical Name: tert-Butyl (4-(chlorosulfonyl)phenyl)carbamate
• CAS No.: 269747-25-3
• Molecular Formula: C11H14ClNO4S
• Molecular Weight: 291.75
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60701783
• Nikkaji Number: J2.933.203G
• Wikidata: Q72459511
• Mol file: 269747-25-3.mol

Synonyms:269747-25-3;tert-Butyl (4-(chlorosulfonyl)phenyl)carbamate;TERT-BUTYL [4-(CHLOROSULFONYL)PHENYL]CARBAMATE;tert-butyl 4-(chlorosulfonyl)phenylcarbamate;4-(BOC-AMINO)-BENZENESULFONYL CHLORIDE;Tert-butyl[4-(chlorosulfonyl)phenyl]carbamate;tert-butyl N-(4-chlorosulfonylphenyl)carbamate;tert-Butyl(4-(chlorosulfonyl)phenyl)carbamate;tert-butyl N-[4-(chlorosulfonyl)phenyl]carbamate;[4-(Chlorosulfonyl)phenyl]carbamic acid tert-butyl ester;SCHEMBL18613944;DTXSID60701783;BCP31641;MFCD10697736;RB3128;AKOS015998741;AB60365;AM62702;AS-54427;CS-0103564;FT-0698139;EN300-1881811;A818765;2-Methyl-2-propanyl [4-(chlorosulfonyl)phenyl]carbamate;N-[4-(chlorosulfonyl)phenyl]carbamic acid 1,1-dimethylethyl ester;Carbamic acid, N-[4-(chlorosulfonyl)phenyl]-, 1,1-dimethylethyl ester

Chemical Property of tert-Butyl (4-(chlorosulfonyl)phenyl)carbamate

Chemical Property:

• Boiling Point: 346.7±25.0 °C(Predicted)
• PKA: 12.49±0.70(Predicted)
• PSA: 80.85000
• Density: 1.356
• LogP: 4.11490
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 291.0332068
• Heavy Atom Count: 18
• Complexity: 388

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl 4-(chlorosulfonyl)phenylcarbamate 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)NC1=CC=C(C=C1)S(=O)(=O)Cl

Technology Process of tert-Butyl (4-(chlorosulfonyl)phenyl)carbamate

There total 4 articles about tert-Butyl (4-(chlorosulfonyl)phenyl)carbamate 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: 92.0%

p-N-Boc-phenylthiobenzoate (1269071-42-2) → (4-chlorosulfonyl-phenyl)-carbamic acid tert-butyl ester (269747-25-3)

Guidance literature:

With trichloroisocyanuric acid; benzyltrimethylammonium chloride; sodium carbonate; In water; acetonitrile; at 0 ℃; for 0.333333h;

DOI:10.1016/j.tetlet.2010.12.050

Reference yield: 82.5%

C11H15NO5S*C6H15N → (4-chlorosulfonyl-phenyl)-carbamic acid tert-butyl ester (269747-25-3)

Guidance literature:

With hydrogenchloride;

DOI:10.3390/biom11030435

Reference yield: 62.0%

tert-butyl (4-sulfamoylphenyl)carbamate (352542-64-4) → (4-chlorosulfonyl-phenyl)-carbamic acid tert-butyl ester (269747-25-3)

Guidance literature:

With pyrylium tetrafluoroborate; magnesium chloride; In tert-butyl alcohol; at 60 ℃; for 3h;

DOI:10.1002/anie.201910895

upstream raw materials:

p-N-Boc-phenylthiobenzoate

N-Boc-4-iodoaniline

tert-butyl (4-sulfamoylphenyl)carbamate

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