Phenyl dimethylsulfamate

Base Information

• Chemical Name: Phenyl dimethylsulfamate
• CAS No.: 66950-63-8
• Molecular Formula: C8H11NO3S
• Molecular Weight: 201.246
• DSSTox Substance ID: DTXSID10505814
• Nikkaji Number: J1.629.337G
• Wikidata: Q82361145
• Mol file: 66950-63-8.mol

Synonyms:Phenyl dimethylsulfamate;66950-63-8;PHENYL N,N-DIMETHYLSULFAMATE;SCHEMBL1538262;DTXSID10505814

Chemical Property of Phenyl dimethylsulfamate

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 201.04596439
• Heavy Atom Count: 13
• Complexity: 237

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)S(=O)(=O)OC1=CC=CC=C1

Technology Process of Phenyl dimethylsulfamate

There total 5 articles about Phenyl dimethylsulfamate 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: 95.0%

dimethylamino sulfonyl chloride (13360-57-1) + phenol (108-95-2,27073-41-2) → phenyl N,N-dimethylsulfamate (66950-63-8)

Guidance literature:

phenol; With sodium hydride; In 1,2-dimethoxyethane; mineral oil; at 0 - 23 ℃; for 0.166667h;

dimethylamino sulfonyl chloride; In 1,2-dimethoxyethane; mineral oil; at 23 ℃; for 11h;

DOI:10.1021/ja906477r

Reference yield: 75.0%

phenylchlorosulfate (16475-29-9) + trimethylamine (75-50-3) → phenyl N,N-dimethylsulfamate (66950-63-8)

Guidance literature:

In chloroform-d1; for 0.25h;

Reference yield: 70.0%

phenyl sulfamate (19792-91-7) + methyl iodide (74-88-4) → phenyl N,N-dimethylsulfamate (66950-63-8)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate; In benzene; at 80 ℃; for 4h;

upstream raw materials:

phenylchlorosulfate

trimethylamine

2,2,2-trifluoroethanol

phenyl betylate triflate

Downstream raw materials:

N,N-dimethyl-4-hydroxybenzenesulfonamide

2-hydroxy-N,N-dimethylbenzenesulfonamide

ethyl phenyl sulfate

phenol