Cas no 359629-91-7 (5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester)

5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester is a brominated aromatic ester with the molecular formula C??H??BrO?. This compound is commonly utilized as an intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its key structural features—a bromine substituent and an ethyl ester group—enhance reactivity in cross-coupling reactions and other transformations. The methyl group at the 2-position contributes to steric and electronic modulation, influencing selectivity in synthetic pathways. The compound is typically characterized by high purity and stability under standard storage conditions, making it a reliable reagent for research and industrial processes. Its well-defined properties facilitate precise use in multi-step synthetic routes.
5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester structure
359629-91-7 structure
Product Name:5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester
CAS No:359629-91-7
MF:C10H11BrO2
MW:243.097142457962
MDL:MFCD10566196
CID:1030567
Update Time:2025-11-02

5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-bromo-2-methylbenzoate
    • 5-BROMO-2-METHYLBENZOIC ACID ETHYL ESTER
    • 5-Brom-2-methyl-benzoesaeure-aethylester
    • 5-bromo-2-methyl-benzoic acid ethyl ester
    • AS03604
    • CTK8E2382
    • ethyl 5-bromanyl-2-methyl-benzoate
    • QC-7535
    • SBB068152
    • SureCN288615
    • 5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester
    • MDL: MFCD10566196
    • Inchi: 1S/C10H11BrO2/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3
    • InChI Key: NHMJLUHCYZHKMO-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(C)=C(C(=O)OCC)C=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3

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Additional information on 5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester

5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester (CAS 359629-91-7): A Comprehensive Technical Overview

5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester (CAS 359629-91-7) is an important organic intermediate with growing applications in pharmaceutical synthesis and specialty chemicals. This brominated aromatic ester has gained significant attention in recent years due to its unique structural features that make it valuable for constructing complex molecular architectures.

The compound belongs to the class of benzoic acid derivatives, characterized by the presence of both bromo and methyl substituents on the aromatic ring, along with an ethyl ester functional group. This specific combination of substituents gives 5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester distinct chemical properties that differentiate it from similar compounds in the benzoate ester family.

Recent trends in drug discovery have increased demand for halogenated building blocks like 5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester. Pharmaceutical researchers frequently search for "brominated pharmaceutical intermediates" and "methyl benzoate derivatives," reflecting the compound's relevance in modern medicinal chemistry. The bromine atom serves as an excellent handle for further functionalization through various cross-coupling reactions, particularly in palladium-catalyzed transformations.

From a synthetic chemistry perspective, 5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester offers several advantages. The electron-withdrawing bromo group activates the aromatic ring towards electrophilic aromatic substitution, while the ester functionality provides opportunities for subsequent hydrolysis or transesterification. These features make it a versatile precursor for synthesizing more complex molecules, answering frequent search queries about "multifunctional aromatic building blocks."

The compound's physical properties include being typically a white to off-white crystalline solid at room temperature, with moderate solubility in common organic solvents such as ethanol, acetone, and dichloromethane. Its molecular weight of 257.12 g/mol and specific structural formula contribute to its utility in precise synthetic applications. Analytical chemists often search for "spectroscopic data of brominated esters" when working with this material.

In material science applications, derivatives of 5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester have shown potential in developing advanced functional materials. The compound's aromatic core and halogen substituent make it interesting for creating liquid crystals or organic electronic materials, addressing growing interest in "halogenated aromatic materials" within the scientific community.

Quality control of 5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester typically involves HPLC analysis and spectroscopic characterization (including NMR and mass spectrometry). The compound should be stored under inert conditions to maintain stability, as the bromoaryl moiety can be sensitive to certain environmental factors. These handling considerations respond to common queries about "proper storage of brominated compounds."

The synthesis of 5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester generally proceeds through esterification of the corresponding benzoic acid precursor, followed by careful purification steps. Process chemists frequently investigate "optimized synthesis of bromo methyl benzoates" to improve yields and reduce byproducts in such transformations.

From a regulatory perspective, while 5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester itself is not classified as hazardous under most international standards, proper laboratory practices should always be followed when handling any chemical substance. This addresses common safety-related searches while maintaining compliance with content guidelines.

The market for 5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester has shown steady growth, particularly in regions with strong pharmaceutical manufacturing sectors. Industry analysts tracking "specialty chemical market trends" have noted increasing demand for such fine chemicals with multiple functional groups.

In conclusion, 5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester (CAS 359629-91-7) represents a valuable chemical building block with diverse applications across multiple scientific disciplines. Its combination of aromatic bromination and ester functionality makes it particularly useful in modern synthetic chemistry, answering numerous technical queries in the field of organic synthesis intermediates.

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