structure of 4-CYANO-3,5-DIMETHYL-BENZOIC ACID METHYL ESTER

4-CYANO-3,5-DIMETHYL-BENZOIC ACID METHYL ESTER

CAS No.: 1001055-67-9
M. Wt: 189.21100
M. Fa: C11H11NO2
InChI Key: -

Names and Identifiers of 1001055-67-9

CAS Number

1001055-67-9

IUPAC Name

methyl 4-cyano-3,5-dimethyl-benzoate

Canonical SMILES

CC1=CC(=CC(=C1C#N)C)C(=O)OC

Physical and chemical properties of 1001055-67-9

Exact Mass

189.07900

LogP

1.96168

Molecular Formula

C11H11NO2

Molecular Weight

189.21100

PSA

50.09000

Storage condition

2-8℃

Applications of 1001055-67-9

Methyl 4-cyano-3,5-dimethylbenzoate has several applications:

  • Intermediate in Organic Synthesis: It serves as a building block for synthesizing more complex organic molecules.
  • Pharmaceutical Development: Potentially useful in developing new pharmaceuticals due to its structural properties.
  • Material Science: May be utilized in the formulation of polymers or other materials where specific chemical properties are desired.

Interaction Studies of 1001055-67-9

Interaction studies involving methyl 4-cyano-3,5-dimethylbenzoate focus on its reactivity with various nucleophiles and electrophiles. These studies are essential for understanding how this compound might behave in biological systems or synthetic pathways. Preliminary data suggest that it may interact favorably with certain biological targets due to its functional groups.

Retrosynthesis analysis of 1001055-67-9

  • Route#1

    Cas:5471-81-8
    Cas:1001055-67-9

  • Route#2

    Cas:18595-14-7
    Cas:1001055-67-9