Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]- | CAS No. 46948-72-5

Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]-

Basic Information

CAS Number

46948-72-5

Molecular Formula

C13H19NO4S

Molecular Weight

285.37 g/mol

AD

Basic Physical Properties

CN(CCCCCC(=O)O)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H19NO4S/c1-14(11-7-3-6-10-13(15)16)19(17,18)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,16)

InChIKey

ASJPRZHJNRBKTI-UHFFFAOYSA-N

LogP

1.9521

Topological Polar Surface Area

74.68 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

369

Synonyms & References

English

  • 6-[methyl(phenylsulphonyl)amino]hexanoic acid
  • 6-[benzenesulfonyl(methyl)amino]hexanoic acid
  • 6-[METHYL(PHENYLSULFONYL)AMINO]HEXANOICACID
  • Hostacor H
  • 6-(N-METHYLBENZENESULFONAMIDO)HEXANOIC ACID
  • MF493NK8GC
  • NS00003029
  • 46948-72-5
  • 6-(Benzenesulfonyl-methyl-amino)-hexanoic acid
  • G67679
  • W-109229
  • A1-01882
  • EC 256-289-0
  • HOSTACOR H
  • HEXANOIC ACID, 6-(METHYL(PHENYLSULPHONYL)AMINO)-
  • 6-(Methyl(phenylsulfonyl)amino)hexanoic acid
  • 6-(Methyl(phenylsulphonyl)amino)hexanoic acid
  • DB-242686
  • Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]-
  • AKOS024257961
  • 6-[methyl(phenylsulfonyl)-amino]hexanoic acid
  • A855838
  • 6-(N-Methylphenylsulfonamido)hexanoic acid
  • 6-[methyl(phenylsulfonyl)amino]hexanoic acid
  • SCHEMBL600069
  • 6-[Methyl(phenylsulphonyl)amino]hexanoic acid
  • DTXSID1068487
  • Hexanoic acid, 6-(methyl(phenylsulfonyl)amino)-
  • EINECS 256-289-0
  • ASJPRZHJNRBKTI-UHFFFAOYSA-N
  • UNII-MF493NK8GC

MDL Number

MFCD03701670

FAQ

What are the physical and chemical properties of Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]- (CAS: 46948-72-5)?

Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]- (CAS: 46948-72-5) is a solid with a crystalline form. It has a molecular weight of approximately 270.26 g/mol and a melting point around 55-57°C. The compound is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is a carboxylic acid with unique reactivity due to the substituted amino group, which can participate in various types of reactions such as esterification and amide formation.

How is Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]- (CAS: 46948-72-5) typically synthesized?

Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]- (CAS: 46948-72-5) can be synthesized through multi-step organic chemistry reactions. A typical method involves the use of phenylsulfonyl chloride and methylamine to form the sulfonamide, followed by acylation with hexanoic anhydride to introduce the carboxylic acid group. The reaction conditions, including temperature and catalysts, are carefully controlled to achieve high selectivity and yield.

What industries use Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]- (CAS: 46948-72-5)?

Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]- (CAS: 46948-72-5) finds application in various industries, particularly in pharmaceuticals for drug synthesis, in polymer science for functional materials, and in the development of sensors and semiconductors due to its unique chemical properties. Its reactivity and specific functional groups make it a valuable compound in these fields.

What precautions should be taken when handling Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]- (CAS: 46948-72-5)?

When handling Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]- (CAS: 46948-72-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. In the event of a spill, it should be cleaned up immediately using appropriate absorbents and disposing of the waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

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