N-phenyl-sulfamic acid ethyl ester

Base Information

• Chemical Name: N-phenyl-sulfamic acid ethyl ester
• CAS No.: 3782-61-4
• Molecular Formula: C₈H₁₁NO₃S
• Molecular Weight: 201.246
• DSSTox Substance ID: DTXSID701313881
• Mol file: 3782-61-4.mol

Synonyms:ethyl phenylsulfamate;ethyl N-phenylsulfamate;SCHEMBL675156;DTXSID701313881;N-phenyl-sulfamic acid ethyl ester;3782-61-4

Chemical Property of N-phenyl-sulfamic acid ethyl ester

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 201.04596439
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOS(=O)(=O)NC1=CC=CC=C1

Technology Process of N-phenyl-sulfamic acid ethyl ester

There total 6 articles about N-phenyl-sulfamic acid ethyl ester 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: 80.0%

ethanol (64-17-5) + phenylsulfamyl chloride (60260-49-3) → ethyl phenylamidosulfate (3782-61-4)

Guidance literature:

With sodium carbonate; N-benzyl-N,N,N-triethylammonium chloride; In benzene; at 0 ℃; for 5h;

DOI:10.1055/s-1983-30225

Reference yield: 18.0%

ethanol (64-17-5) + phenylsulfamyl chloride (60260-49-3) → ethyl phenylamidosulfate (3782-61-4) + Ethyl N-methyl-N-phenylsulfamate (1016-67-7)

Guidance literature:

With sodium carbonate; N-benzyl-N,N,N-triethylammonium chloride; In benzene; at 0 ℃; for 5h;

DOI:10.1055/s-1983-30225

Reference yield:

N-trimethylsilylaniline (3768-55-6) + chlorine ethoxysulfonate (104184-87-4) → 2-amino-1-benzenesulfonic acid (88-21-1) + ethyl phenylamidosulfate (3782-61-4) + N-ethyl-N-phenylamidosulfate (732944-81-9) + dianilinium (4-sulfonatophenylamido)sulfate

Guidance literature:

With acetic acid; Multistep reaction. Further byproducts given; 1) CH₂Cl₂, (-10)-(-15) deg C, 2 h; reflux, 3 h; 2) (-10)-(-15) deg C, 3 h;

DOI:10.1246/bcsj.59.2517

upstream raw materials:

ethanol

phenylsulfurimidoyl difluoride

phenylsulfamyl chloride

N-trimethylsilylaniline

Downstream raw materials:

Methyl-phenyl-sulfamic acid ethyl ester

N-Benzylaniline

Benzyl-phenyl-sulfamic acid ethyl ester