Benzoic acid, 4-bromo-2-methyl-, ethyl ester


Chemical Name: Benzoic acid, 4-bromo-2-methyl-, ethyl ester
CAS Number: 220389-34-4
Product Number: AG00BGAA(AGN-PC-03RAKH)
Synonyms:
MDL No:
Molecular Formula: C10H11BrO2
Molecular Weight: 243.0971

Identification/Properties


Properties
BP:
289.8±20.0°C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
243.1g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
241.994g/mol
Monoisotopic Mass:
241.994g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
182
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 4-bromo-2-methylbenzoate is a versatile compound commonly utilized in chemical synthesis for its valuable applications. This particular compound serves as a key building block in the synthesis of various pharmaceuticals and agrochemicals due to its unique structural features and reactivity. Its bromo and ester functional groups make it an essential intermediate in the preparation of complex organic molecules with specific biological activities.In organic synthesis, Ethyl 4-bromo-2-methylbenzoate can participate in substitution, addition, and elimination reactions to introduce diverse functional groups into the final products. By strategically manipulating the reactivity of these functional groups, chemists can synthesize a wide range of compounds with tailored properties and functions. Additionally, the presence of the ester group allows for further derivatization through common chemical transformations like hydrolysis, reduction, or coupling reactions.Overall, Ethyl 4-bromo-2-methylbenzoate plays a crucial role in the synthesis of various compounds with biological activities, making it a valuable tool for chemists in drug discovery, material science, and other fields requiring precise control over molecular structures.