CAS 4553-07-5

Benzeneacetic acid, α-cyano-, ethyl ester

Description:

Benzeneacetic acid, α-cyano-, ethyl ester, also known by its CAS number 4553-07-5, is an organic compound characterized by its ester functional group and the presence of both a benzene ring and a cyano group. This compound typically appears as a colorless to pale yellow liquid with a distinctive aromatic odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic benzene ring. The presence of the cyano group contributes to its reactivity, making it a useful intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. The compound may exhibit moderate toxicity, and appropriate safety measures should be taken when handling it. Its chemical structure allows for various reactions, including nucleophilic substitutions and condensation reactions, which are valuable in synthetic organic chemistry. Overall, benzeneacetic acid, α-cyano-, ethyl ester is a versatile compound with applications in multiple fields, including medicinal chemistry and material science.

Formula: C₁₁H₁₁NO₂

InChI: InChI=1S/C11H11NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3

InChI key: InChIKey=SXIRJEDGTAKGKU-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)(C#N)C1=CC=CC=C1

Synonyms:

• Acetic acid, cyanophenyl-, ethyl ester
• Benzeneacetic acid, α-cyano-, ethyl ester
• Ethyl (±)-2-cyano-2-phenylacetate
• Ethyl 2-phenyl-2-cyanoacetate
• Ethyl Cyano(Phenyl)Acetate
• Ethyl cyanophenylacetate
• Ethyl α-cyano-α-phenylacetate
• Ethyl α-cyanobenzeneacetate
• Ethyl α-cyanophenylacetate
• NSC 362
• Phenylcyanoacetic acid ethyl ester
• ethyl (2R)-cyano(phenyl)ethanoate
• ethyl (2S)-cyano(phenyl)ethanoate
• Ethyl alpha-cyanophenylacetate
• Ethylphenylcyanoaceicacidester
• ETHYL PHENYLCYANOACETATE
• RARECHEM AK ML 0109
• Phenylethylcyanoacetamide
• Ethyl alpha-cyano-alpha-phenylacetate
• Ethylphenylcyanoacetate,98%
• Cyano(phenyl)acetic acid ethyl ester
• Ethyl ester of alpha-cyanobenzeneacetic acid

Ethyl Phenylcyanoacetate

CAS: 4553-07-5

Formula: C₁₁H₁₁NO₂

Purity: >95.0%(GC)

Color and Shape: Very Pale Yellow - Pale Yellow Liquid

Molecular weight: 189.21

Ref: 3B-P1255

Ethyl phenylcyanoacetate, 98%

CAS: 4553-07-5

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₁₁H₁₁NO₂

Purity: 98%

Color and Shape: Clear colorless to pale yellow, Liquid

Molecular weight: 189.21

Ref: 02-L03929

Ethyl phenylcyanoacetate

CAS: 4553-07-5

Formula: C₁₁H₁₁NO₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 189.2105

Ref: IN-DA003QGL

Ethyl cyano(phenyl)acetate

CAS: 4553-07-5

Ethyl cyano(phenyl)acetate

Purity: ≥95%

Molecular weight: 189.21g/mol

Ref: 54-OR30370

Ethyl phenylcyanoacetate

CAS: 4553-07-5

Formula: C₁₁H₁₁NO₂

Purity: ≥97%

Color and Shape: Liquid

Molecular weight: 189.214

Ref: 10-F013578

Ethyl Phenylcyanoacetate

Controlled Product

CAS: 4553-07-5

Applications Ethyl phenylcyanoacetate is a reagent used for the asymmetric synthesis of (-)-manzacidin A. It is also a useful reagent for C-C bond formation by conjugate additions with vinyl sulfones.
References Wang, B., et al.: J. Am. Chem. Soc. 128, 3928 (2007); Li, H., et al.: J. Am. Chem. Soc. 127, 8948 (2005)

Formula: C₁₁H₁₁NO₂

Color and Shape: Neat

Molecular weight: 189.21

Ref: TR-E926005