Potassium (2R)-{[(2E)-4-ethoxy-4-oxo-2-buten-2-yl]amino}(phenyl)acetate | CAS No. 961-69-3

Potassium (2R)-{[(2E)-4-ethoxy-4-oxo-2-buten-2-yl]amino}(phenyl)acetate

Basic Information

CAS Number

961-69-3

Molecular Formula

C14H16KNO4

Molecular Weight

301.38 g/mol

AD

Basic Physical Properties

Melting Point

230-234 ºC

Specific Rotation

-78 º (c=1,1N HCl)

[K+].[O-]C(=O)[C@H](NC(/C)=C/C(=O)OCC)c1ccccc1

InChI

InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/q;+1/p-1/b10-9+;/t13-;/m1./s1

InChIKey

QMWWAEFYIXXXQW-VMEHJNRZSA-M

LogP

0.92500

Complexity

351

Synonyms & References

English

  • Potassium (R,E)-2-((4-ethoxy-4-oxobut-2-en-2-yl)amino)-2-phenylacetate
  • (R)-(?-alpha-[(3-Ethoxy-1-methyl-3-oxo-1-propenyl)amino]benzeneacetic acid
  • potassium (r)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate
  • (r)-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]benzeneacetic acid potassium salt
  • (R)-(?)-α-[(3-Ethoxy-1-methyl-3-oxo-1-propenyl)amino]benzeneacetic acid potassium salt
  • D-PHENYL GLYCINE DANE SALT (ETHYL POTASSIUM SALT)
  • D-phenylglycine Dane Salt
  • N-Methylbut-2-enoate Ethyl Ester D-(-)Phenylglycine Potassium Salt
  • D-Phenylglycine ethyl potassium dane salt
  • (R)-(-)-alpha-[(3-Ethoxy-1-methyl-3-oxo-1-propenyl)amino]benzeneacetic acid potassium salt
  • (R)-(-)-alpha-((3-ethoxy-1-methyl-3-oxo-1-propeny
  • C14H17KNO4
  • 2-[N-(D-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt
  • AK117048
  • O209
  • AX8023266
  • ST51038448
  • ST
  • Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (R)- (ZCI)
  • Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (αR)- (9CI)
  • Crotonic acid, 3-[(α-carboxybenzyl)amino]-, 1-ethyl ester, monopotassium salt, D-(-)- (8CI)
  • D
  • Potassium D-(1-ethoxycarbonylpropen-2-yl)-α-aminophenylacetate

MDL Number

MFCD00137489

Customs Code

2922509090

FAQ

What is Potassium (2R)-{[(2E)-4-ethoxy-4-oxo-2-buten-2-yl]amino}(phenyl)acetate (CAS: 961-69-3)?

Potassium (2R)-{[(2E)-4-ethoxy-4-oxo-2-buten-2-yl]amino}(phenyl)acetate (CAS: 961-69-3) is a potassium salt of a chiral amino acid derivative. Its chemical formula is C15H18KNO5, and it is characterized by a phenylacetate group, an ethoxy-functionalized butenyl chain, and a stereochemical configuration (2R, 2E). The compound is typically a white crystalline solid with solubility in polar solvents, commonly used in pharmaceutical research for its potential biological activity.

What are the main uses of Potassium (2R)-{[(2E)-4-ethoxy-4-oxo-2-buten-2-yl]amino}(phenyl)acetate (CAS: 961-69-3)?

Potassium (2R)-{[(2E)-4-ethoxy-4-oxo-2-buten-2-yl]amino}(phenyl)acetate (CAS: 961-69-3) is primarily used in pharmaceutical research as an intermediate for developing drugs targeting neurological disorders. It may also serve in industrial chemical synthesis and as a research tool for studying enzyme inhibition or receptor interactions. Its unique structure makes it relevant in the development of anticonvulsants and compounds with potential anti-inflammatory properties.

Is Potassium (2R)-{[(2E)-4-ethoxy-4-oxo-2-buten-2-yl]amino}(phenyl)acetate (CAS: 961-69-3) safe?

Potassium (2R)-{[(2E)-4-ethoxy-4-oxo-2-buten-2-yl]amino}(phenyl)acetate (CAS: 961-69-3) is generally considered safe when handled properly, but it may exhibit mild irritant properties. Safety data sheets (SDS) should be consulted for specific guidelines. Precautions include wearing protective gloves, goggles, and lab coats, and ensuring proper ventilation. It is classified under standard chemical safety protocols, with no significant acute toxicity reported in limited studies.

How should Potassium (2R)-{[(2E)-4-ethoxy-4-oxo-2-buten-2-yl]amino}(phenyl)acetate (CAS: 961-69-3) be stored?

Potassium (2R)-{[(2E)-4-ethoxy-4-oxo-2-buten-2-yl]amino}(phenyl)acetate (CAS: 961-69-3) should be stored in a cool, dry, and dark place, ideally at 2-8°C, to maintain stability. Keep in a sealed container to prevent moisture absorption and contamination. Avoid exposure to strong light, heat, or incompatible substances. Storage conditions should ensure long-term preservation, as the compound may degrade under improper handling.

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