Benzenesulfonamide, 2-amino-N,N,4-trimethyl-

Base Information

• Chemical Name: Benzenesulfonamide, 2-amino-N,N,4-trimethyl-
• CAS No.: 79-67-4
• Molecular Formula: C9H14 N2 O2 S
• Molecular Weight: 214.28466
• European Community (EC) Number: 201-217-5
• DSSTox Substance ID: DTXSID8058823
• Nikkaji Number: J192.571G
• Wikidata: Q81988526
• Mol file: 79-67-4.mol

Synonyms:79-67-4;2-amino-N,N,4-trimethylbenzenesulfonamide;Benzenesulfonamide, 2-amino-N,N,4-trimethyl-;EINECS 201-217-5;3-Amino-N,N-dimethyltoluene-4-sulphonamide;SCHEMBL9796246;DTXSID8058823;3-amino-N,N-dimethyltoluen-4-sulfonamid

Chemical Property of Benzenesulfonamide, 2-amino-N,N,4-trimethyl-

Chemical Property:

• Vapor Pressure: 3.24E-05mmHg at 25°C
• Boiling Point: 354.9°C at 760 mmHg
• Flash Point: 168.5°C
• PSA: 71.78000
• Density: 1.234g/cm³
• LogP: 2.48950
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 214.07759887
• Heavy Atom Count: 14
• Complexity: 282

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N(C)C)N

Refernces

Asymmetric Catalytic Epoxidation of Terminal Enones for the Synthesis of Triazole Antifungal Agents

10.1021/acs.orglett.1c02588

The research focuses on the development of an efficient and enantioselective catalytic asymmetric epoxidation reaction of α-substituted vinyl ketones, which are key intermediates for the synthesis of various triazole antifungal agents. The purpose of this study was to create a concise and efficient method for constructing optically active epoxides with consecutive chiral carbon centers, a challenging task in the field of antifungal drug synthesis. The researchers successfully employed a chiral N,N′-dioxide/ScIII complex as the chiral catalyst and 35% aqueous hydrogen peroxide as the oxidant, achieving high yields and good enantioselectivities. This method not only provided a highly efficient and enantioselective route for the synthesis of antifungal agents such as isavuconazole and efinaconazole but also demonstrated the potential for synthesizing other potential antifungal agents. The study concluded that the chiral N,N′-dioxide/Sc(OTf)3 catalytic system was effective in the asymmetric epoxidation process, offering a wide range of α,α-disubstituted epoxides in good yields with high enantioselectivities.

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