CAS 13291-96-8

Benzeneacetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, sodium salt (1:1), (αR)-

Description:

Benzeneacetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, sodium salt (1:1), (αR)-, is a chemical compound characterized by its complex structure that includes a benzeneacetic acid moiety and an amino group linked to a substituted propenyl group. This compound is typically a white to off-white solid and is soluble in water due to the presence of the sodium salt form, which enhances its solubility compared to the free acid. The presence of the methoxy and keto functional groups contributes to its reactivity and potential biological activity. As a sodium salt, it may exhibit different properties compared to its acid form, such as altered pH stability and enhanced bioavailability. This compound may be of interest in pharmaceutical applications, particularly in drug design and synthesis, due to its potential interactions with biological targets. Its specific stereochemistry, indicated by the (αR)- designation, suggests that it may exhibit chiral properties, which can influence its pharmacodynamics and pharmacokinetics.

Formula: C₁₃H₁₅NO₄·Na

InChI: InChI=1S/C13H15NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-8,12,14H,1-2H3,(H,16,17);/t12-;/m1./s1

InChI key: InChIKey=OXKGVGKMDLJMCI-UTONKHPSSA-N

SMILES: [C@H](NC(=CC(OC)=O)C)(C(O)=O)C1=CC=CC=C1.[Na]

Synonyms:

• (R)-alpha-((3-Methoxy-1-methyl-3-oxo-1-propenyl)amino)benzeneacetic acid, sodium salt
• Benzeneacetic acid, alpha-((3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino)-, sodium salt (1:1), (alphaR)-
• Benzeneacetic acid, alpha-((3-methoxy-1-methyl-3-oxo-1-propenyl)amino)-, monosodium salt, (alphaR)-
• Benzeneacetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, sodium salt (1:1), (αR)-
• Benzeneacetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]-, monosodium salt, (R)-
• Benzeneacetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]-, monosodium salt, (αR)-
• Crotonic acid, 3-[(α-carboxybenzyl)amino]-, 1-methyl ester, monosodium salt, <span class="text-smallcaps">D</span>-(-)-
• Sodium N-(2-methoxycarbonyl-1-methylvinyl)-<span class="text-smallcaps">D</span>-2-amino-2-phenylacetate
• Sodium N-[1-methyl-2-carbomethoxyvinyl]-<span class="text-smallcaps">D</span>(-)-α-aminophenylacetate
• sodium (2R)-{[(1E)-3-methoxy-1-methyl-3-oxoprop-1-en-1-yl]amino}(phenyl)ethanoate
• Sodium N-[1-methyl-2-carbomethoxyvinyl]-D(-)-α-aminophenylacetate
• Crotonic acid, 3-[(α-carboxybenzyl)amino]-, 1-methyl ester, monosodium salt, D-(-)-

Sodium N-[1-Methyl-2-carbomethoxyvinyl]-D(-)-α-aminophenylacetate

CAS: 13291-96-8

Formula: C₁₃H₁₄NNaO₄

Molecular weight: 271.2443

Ref: IN-DA0011DH

Sodium N-[1-Methyl-2-carbomethoxyvinyl]-D(-)-α-aminophenylacetate

Controlled Product

CAS: 13291-96-8

Applications Sodium N-[1-Methyl-2-carbomethoxyvinyl]-D(-)-α-aminophenylacetate is an intermediate in the synthesis of Ampicillin Amino-benzeneacetaldehyde (A634375). Ampicillin Amino-benzeneacetaldehyde can be used to develop HPLC methods that detect compounds or impurities related to ampicillin in bulk drug. Ampicillin Amino-benzeneacetaldehyde is a related compound of Ampicillin (A634300), a β-lactam antibiotic used for treating bacterial infection. Ampicillin interferes with cell wall synthesis in bacteria.
References Raju, Ch. B. V. N., et al.: Anal Chem : Ind J, 7, 354 (2008); Fisher, J. F., et al.: Chem. Rev. 105, 395 (2005); Sill, M. L., et al.: Antimicrob. Agents Chemother. 52, 1551 (2008); Ivashkiv, E., et al.: Anal. Profiles Drug Subs. 2, 1 (1973)

Formula: C₁₃H₁₄NO₄·Na

Color and Shape: Neat

Molecular weight: 271.244

Ref: TR-S670703