tert-butyl N-(benzylsulfamoyl)carbamate

Base Information

• Chemical Name: tert-butyl N-(benzylsulfamoyl)carbamate
• CAS No.: 147000-78-0
• Molecular Formula: C12H18N2O4S
• Molecular Weight: 286.352
• Hs Code.: 2934999090
• ChEMBL ID: CHEMBL229904
• DSSTox Substance ID: DTXSID20590852
• Nikkaji Number: J1.259.474G
• Pharos Ligand ID: HZPN8RBM3B8Q
• Wikidata: Q82484471
• Mol file: 147000-78-0.mol

Synonyms:147000-78-0;tert-butyl N-(benzylsulfamoyl)carbamate;Carbamic acid, [[(phenylmethyl)amino]sulfonyl]-, 1,1-dimethylethyl ester;tert-Butyl 3-benzyl-2,2-dioxo-2lambda~6~-diazathiane-1-carboxylate;TERT-BUTYL 3-BENZYL-2,2-DIOXO-2LAMBDA6-DIAZATHIANE-1-CARBOXYLATE;CHEMBL229904;Tert-Butyl n-benzylsulfamoylcarbamate;Tert-butyl (N-benzylsulfamoyl)carbamate;SCHEMBL6337412;DTXSID20590852;LQYHTXUYYNNFPZ-UHFFFAOYSA-N;Tert-Butyln-benzylsulfamoylcarbamate;BDBM50428814;MFCD09864818;tert-Butyl (benzylsulfamoyl)carbamate;AKOS005072322;Carbamic acid, N-[[(phenylmethyl)amino]sulfonyl]-, 1,1-dimethylethyl ester;EB-0827;N-benzyl-N'-tert-butoxycarbonyl sulfamide;DB-256795;CS-0337183;J-524807;tert-Butyl 3-benzyl-2,2-dioxo-diazathiane-1-carboxylate

Chemical Property of tert-butyl N-(benzylsulfamoyl)carbamate

Chemical Property:

• Melting Point: 106～108℃
• PSA: 92.88000
• LogP: 3.40830
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 286.09872823
• Heavy Atom Count: 19
• Complexity: 389

Purity/Quality:

98%min ^*data from raw suppliers

1-(Benzyl)-3-(tert-butoxycarbonyl)sulfamide ^*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)NCC1=CC=CC=C1

Technology Process of tert-butyl N-(benzylsulfamoyl)carbamate

There total 5 articles about tert-butyl N-(benzylsulfamoyl)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: 94.0%

isocyanate de chlorosulfonyle (1189-71-5) + benzylamine (100-46-9) + tert-butyl alcohol (75-65-0) → N1-BOC-N3-benzylsulfamide (147000-78-0)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 0.75h;

DOI:10.1016/0968-0896(96)00118-6

Reference yield: 90.0%

benzylamine (100-46-9) + (tert-butoxycarbonyl)-((4-(dimethyliminio)pyridin-1(4H)-yl)sulfonyl)amide (352275-00-4,872496-91-8) → N1-BOC-N3-benzylsulfamide (147000-78-0)

Guidance literature:

In dichloromethane; at 20 ℃; for 4h;

DOI:10.1021/ol0161312

Reference yield: 88.0%

N-tert-butyloxycarbonylsulfamoyl chloride (147000-89-3) + benzylamine (100-46-9) → N1-BOC-N3-benzylsulfamide (147000-78-0)

Guidance literature:

With TEA;

DOI:10.1016/S0040-4020(01)80506-8

upstream raw materials:

N-tert-butyloxycarbonylsulfamoyl chloride

benzylamine

isocyanate de chlorosulfonyle

tert-butyl alcohol

Downstream raw materials:

(+)(2R)N-(tertiobutyloxycarbonyl),N'(benzyl),-2-sulfamidopropanoate d' ethyle

N¹-BOC-N³-benzyl,N³-(2-chloroethyl) sulfamide

N-benzylsulfamide

N-benzyl-N'-bromobutyl-N'-tert-butoxycarbonyl sulfamide