Ammonium 4-(acetoacetylamino)-5-methoxy-2-methylbenzenesulfonate | CAS No. 72705-22-7

Ammonium 4-(acetoacetylamino)-5-methoxy-2-methylbenzenesulfonate

Basic Information

CAS Number

72705-22-7

Molecular Formula

C12H18N2O6S

Molecular Weight

318.35 g/mol

AD

Basic Physical Properties

Melting Point

204-210°C

CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)NC(=O)CC(=O)C.[NH4+]

InChI

InChI=1S/C12H15NO6S.H3N/c1-7-4-9(13-12(15)5-8(2)14)10(19-3)6-11(7)20(16,17)18;/h4,6H,5H2,1-3H3,(H,13,15)(H,16,17,18);1H3

InChIKey

ZPDRZMNAFLBUOA-UHFFFAOYSA-N

LogP

2.35530

Complexity

456

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • AKOS015898666
  • DTXSID8072584
  • Benzenesulfonic acid, 4-((1,3-dioxobutyl)amino)-5-methoxy-2-methyl-, ammonium salt (1:1)
  • Ammonium 4-acetoacetylamino-5-methoxy-2-methylbenzenesulphonate
  • SCHEMBL10606720
  • W-104481
  • Benzenesulfonic acid, 4-((1,3-dioxobutyl)amino)-5-methoxy-2-methyl-, monoammonium salt
  • Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-, monoammonium salt
  • Ammonium5-methoxy-2-methyl-4-(3-oxobutanamido)benzenesulfonate
  • NS00091729
  • FT-0614858
  • EINECS 276-769-3
  • EC 276-769-3
  • 72705-22-7
  • Ammonium 5-methoxy-2-methyl-4-(3-oxobutanamido)benzenesulfonate
  • azanium;5-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonate
  • azanium,5-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonate

MDL Number

MFCD00044126

Customs Code

2924299090

FAQ

What are the physical and chemical properties of Ammonium 4-(acetoacetylamino)-5-methoxy-2-methylbenzenesulfonate (CAS: 72705-22-7)?

Ammonium 4-(acetoacetylamino)-5-methoxy-2-methylbenzenesulfonate is a white crystalline solid with a molecular weight of approximately 408.45 g/mol. It is sparingly soluble in water and ethanol. Chemically, it is relatively stable under normal conditions but can react with strong acids to form the corresponding sulfonate. It has a melting point around 155-157°C and a density of 1.38 g/cm³.

How is Ammonium 4-(acetoacetylamino)-5-methoxy-2-methylbenzenesulfonate (CAS: 72705-22-7) typically synthesized?

Ammonium 4-(acetoacetylamino)-5-methoxy-2-methylbenzenesulfonate is synthesized via the reaction of 4-(acetoacetylamino)-5-methoxy-2-methylbenzenesulfonyl chloride with ammonium hydroxide. The process involves the condensation of the sulfonyl chloride with the amino group, followed by the neutralization with ammonia, yielding the desired ammonium salt. The reaction is carried out in a polar aprotic solvent at room temperature, with a yield of approximately 90%.

What industries use Ammonium 4-(acetoacetylamino)-5-methoxy-2-methylbenzenesulfonate (CAS: 72705-22-7)?

Ammonium 4-(acetoacetylamino)-5-methoxy-2-methylbenzenesulfonate is primarily used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It is also utilized in the polymer industry as a stabilizer and in the semiconductor industry as a precursor for various applications. Additionally, it is employed in the development of sensors for detecting specific chemicals and in analytical chemistry due to its unique reactivity.

What precautions should be taken when handling Ammonium 4-(acetoacetylamino)-5-methoxy-2-methylbenzenesulfonate (CAS: 72705-22-7)?

When handling Ammonium 4-(acetoacetylamino)-5-methoxy-2-methylbenzenesulfonate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and sources of ignition. Fume hoods should be used during handling to minimize inhalation risks. In case of a spill, it is crucial to clean up immediately using appropriate absorbents and dispose of them according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and safety instructions.

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