4-{4-[(Methylsulfonyl)amino]phenyl}-4-oxobutanoic acid

Basic Information

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CAS Number

100632-57-3

Molecular Formula

C11H13NO5S

Molecular Weight

271.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CCC(=O)O

InChI

InChI=1S/C11H13NO5S/c1-18(16,17)12-9-4-2-8(3-5-9)10(13)6-7-11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15)

InChIKey

SJLUQBVGSCLNRB-UHFFFAOYSA-N

LogP

1.1056

Topological Polar Surface Area

100.54 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

404

Synonyms & References

English

4-(4-methylsulfonylaminophenyl)-4-oxobutyric acid
SJLUQBVGSCLNRB-UHFFFAOYSA-N
4-[(Methylsulfonyl)amino]-g-oxo-benzenebutanoic acid
4-[4-(methanesulfonamido)phenyl]-4-oxobutanoic acid
SCHEMBL5354411
Benzenebutanoic acid, 4-[(methylsulfonyl)amino]-gamma-oxo-
4-[(methylsulfonyl)amino]gamma-oxobenzenebutanoic acid
DTXSID40463832
4-[(Methylsulfonyl)amino]-gamma-oxobenzenebutanoic Acid
4-[(4-Mesylamino)phenyl]-4-oxobutyric acid
4-((methanesulfonyl)amino)-gamma-oxobenzenebutanoic acid
4-((4-Mesylamino)phenyl)-4-oxobutyric acid
AKOS005882666
100632-57-3
4-(4-(Methylsulfonamido)phenyl)-4-oxobutanoicacid
4-(4-(Methylsulfonamido)phenyl)-4-oxobutanoic acid
SB81805
FT-0758494
4-[(Methylsulfonyl)amino]-gamma-oxo-benzenebutanoic acid
4-[(METHYLSULFONYL)AMINO]-Γ-OXO-BENZENEBUTANOIC ACID
4-(METHYLSULFONYL)AMINO--OXO-BENZENEBUTANOIC ACID
4-[(Methylsulfonyl)aMino]-g-oxo- benzenebutanoic acid

MDL Number

MFCD04117906

Customs Code

2935009090

FAQ

What are the physical and chemical properties of 4-{4-[(Methylsulfonyl)amino]phenyl}-4-oxobutanoic acid (CAS: 100632-57-3)?

4-{4-[(Methylsulfonyl)amino]phenyl}-4-oxobutanoic acid (CAS: 100632-57-3) is a white crystalline solid with a molecular weight of approximately 332.46 g/mol. It is slightly soluble in water and more soluble in organic solvents. The compound is reactive towards bases and can undergo hydrolysis under basic conditions. It also exhibits acidity due to the carboxylic acid group.

How is 4-{4-[(Methylsulfonyl)amino]phenyl}-4-oxobutanoic acid (CAS: 100632-57-3) typically synthesized?

4-{4-[(Methylsulfonyl)amino]phenyl}-4-oxobutanoic acid (CAS: 100632-57-3) is typically synthesized via the condensation of 4-(methylsulfonylamino)benzoic acid with acryloyl chloride, followed by hydrolysis. The reaction is catalyzed by a Lewis acid like aluminum chloride. Yield and selectivity are good, with minimal by-products.

What industries use 4-{4-[(Methylsulfonyl)amino]phenyl}-4-oxobutanoic acid (CAS: 100632-57-3)?

4-{4-[(Methylsulfonyl)amino]phenyl}-4-oxobutanoic acid (CAS: 100632-57-3) is used in the pharmaceutical industry for its potential as a drug intermediate. It is also relevant in the polymer industry for modifying properties and in sensor technology due to its functional groups.

What precautions should be taken when handling 4-{4-[(Methylsulfonyl)amino]phenyl}-4-oxobutanoic acid (CAS: 100632-57-3)?

When handling 4-{4-[(Methylsulfonyl)amino]phenyl}-4-oxobutanoic acid (CAS: 100632-57-3), wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Store the compound in a cool, dry place, away from heat and direct sunlight. Handle in a fume hood to avoid inhalation and skin contact. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.