Acetic acid, (2-methylphenoxy)-, ethyl ester


Chemical Name: Acetic acid, (2-methylphenoxy)-, ethyl ester
CAS Number: 93917-68-1
Product Number: AG003PZ6(AGN-PC-0KNZW4)
Synonyms:
MDL No:
Molecular Formula: C11H14O3
Molecular Weight: 194.2271

Identification/Properties


Computed Properties
Molecular Weight:
194.23g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
194.094g/mol
Monoisotopic Mass:
194.094g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
179
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



Ethyl 2-(2-methylphenoxy)acetate, a versatile and valuable chemical compound, is commonly employed in chemical synthesis as a key building block for the preparation of various organic compounds. Its application in organic synthesis includes:1. Esterification Reactions: Ethyl 2-(2-methylphenoxy)acetate can participate in esterification reactions, where it acts as an acylating agent to introduce the ethyl ester functional group into organic molecules. This process is crucial for the synthesis of numerous ester derivatives used in flavors, fragrances, and pharmaceuticals.2. Cross-Coupling Reactions: This compound can serve as a substrate in cross-coupling reactions, such as Suzuki and Heck reactions, to facilitate the formation of carbon-carbon bonds. By incorporating the ethyl 2-(2-methylphenoxy)acetate moiety into organic frameworks, chemists can access diverse chemical structures with tailored properties.3. Protecting Group Chemistry: Ethyl 2-(2-methylphenoxy)acetate can be utilized as a protecting group for alcohols or amines in multi-step organic synthesis. By temporarily masking reactive functional groups with this compound, chemists can control the reactivity of specific sites in complex molecules and prevent unwanted side reactions.4. Ligand Synthesis: In coordination chemistry, Ethyl 2-(2-methylphenoxy)acetate can be modified to serve as a ligand for metal-catalyzed reactions. By tuning the structure of the ligand, researchers can optimize the selectivity and efficiency of catalytic processes in various chemical transformations.Overall, Ethyl 2-(2-methylphenoxy)acetate plays a vital role in modern organic synthesis by enabling the construction of intricate molecular architectures and facilitating the development of novel chemical entities with diverse applications across industries.