CAS 14447-18-8

Phenylmethyl 2-cyanoacetate

Description:

Phenylmethyl 2-cyanoacetate, also known by its CAS number 14447-18-8, is an organic compound characterized by its ester functional group, which is derived from cyanoacetic acid and benzyl alcohol. This compound typically appears as a colorless to pale yellow liquid with a pleasant odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic aromatic structure. The presence of the cyano group contributes to its reactivity, making it useful in various synthetic applications, particularly in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. Additionally, the compound exhibits moderate toxicity, necessitating appropriate safety precautions during handling. Its chemical structure allows for potential applications in the development of biologically active molecules, highlighting its significance in medicinal chemistry. Overall, Phenylmethyl 2-cyanoacetate is a versatile compound with valuable properties for chemical synthesis and research.

Formula: C₁₀H₉NO₂

InChI: InChI=1/C10H9NO2/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5H,6,8H2

InChI key: InChIKey=RCUIWQWWDLZNMS-UHFFFAOYSA-N

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

Synonyms:

• Acetic acid, 2-cyano-, phenylmethyl ester
• Acetic acid, cyano-, benzyl ester
• Acetic acid, cyano-, phenylmethyl ester
• Cyanoacetic acid benzyl ester
• Cyanoacetic acid phenylmethyl ester
• Phenylmethyl 2-cyanoacetate
• Benzyl cyanoacetate
• Benzylcyanoacetate97%
• benzyl 2-cyanoacetate
• Benzyl cyanoacetate 97%
• BZCA
• 2-Cyano-Acetic Acid Phenylmethyl Ester

Benzyl cyanoacetate, 97%

CAS: 14447-18-8

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: NCCH₂CO₂CH₂C₆H₅

Purity: 97%

Color and Shape: Colorless to white to pale cream to cream to yellow to pale orange, Crystals or powder or crystalline powder or fused solid or clear liquid as melt

Molecular weight: 175.18

Ref: 02-L06644

Acetic acid, 2-cyano-, phenylmethyl ester

CAS: 14447-18-8

Formula: C₁₀H₉NO₂

Purity: 98%

Color and Shape: Liquid

Molecular weight: 175.1840

Ref: IN-DA001JM4

Benzyl cyanoacetate

CAS: 14447-18-8

Benzyl cyanoacetate

Formula: C₁₀H₉NO₂

Purity: 98%

Color and Shape: colourless to pale yellow liquid

Molecular weight: 175.18g/mol

Ref: 54-OR2049

Benzyl cyanoacetate

CAS: 14447-18-8

Formula: C₁₀H₉NO₂

Purity: 97%

Color and Shape: Liquid, Clear

Molecular weight: 175.187

Ref: 10-F094535

Benzyl 2-cyanoacetate

CAS: 14447-18-8

Benzyl 2-cyanoacetate is an aliphatic hydrocarbon that has been used in the synthesis of various quinoline derivatives. It can be prepared by the reaction of malonic acid with hydrochloric acid, followed by borohydride reduction and the addition of active methylene. Benzyl 2-cyanoacetate is also a precursor to a number of other compounds, including β-amino acids, which are used as pharmaceutical preparations. The chloride ions in benzyl 2-cyanoacetate react with nitro groups to form chloroquinolines. This compound is also an efflux pump inhibitor that blocks bacterial cells from exporting antibiotic molecules out of the cell.

Formula: C₁₀H₉NO₂

Purity: Min. 95%

Molecular weight: 175.19 g/mol

Ref: 3D-PAA44718