Description

Methyl 2-[4-(bromomethyl)phenyl]propanoate (CAS No. 99807-54-2) is a high-purity brominated aromatic ester with the molecular formula C₁₁H₁₃BrO₂. This compound is a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its structure features a reactive bromomethyl group, making it an excellent candidate for nucleophilic substitution reactions, cross-coupling reactions, and polymer modifications. The methyl ester moiety enhances solubility in organic solvents, facilitating its use in various synthetic protocols. Suitable for research and industrial applications, this compound is rigorously tested for quality and consistency, ensuring optimal performance in demanding chemical processes.

Properties

• CAS Number: 99807-54-2
• Complexity: 186
• IUPAC Name: methyl 2-[4-(bromomethyl)phenyl]propanoate
• InChI: InChI=1S/C11H13BrO2/c1-8(11(13)14-2)10-5-3-9(7-12)4-6-10/h3-6,8H,7H2,1-2H3
• InChI Key: OXFCILAOEGBINA-UHFFFAOYSA-N
• Exact Mass: 256.00989
• Molecular Formula: C11H13BrO2
• Molecular Weight: 257.12
• SMILES: CC(C1=CC=C(C=C1)CBr)C(=O)OC
• Topological: 26.3
• Monoisotopic Mass: 256.00989
• Synonyms: 99807-54-2, Methyl 2-[4-(bromomethyl)phenyl]propanoate, methyl 2-(4-(bromomethyl)phenyl)propanoate, 988-704-2, 2-(4-BROMOMETHYLPHENYL)PROPIONIC ACID METHYL ESTER, 4-(Bromomethyl)-alpha-methyl-benzeneacetic Acid Methyl Ester, 4-(Bromomethyl)-?-methyl-benzeneacetic Acid Methyl Ester, SCHEMBL479997, OXFCILAOEGBINA-UHFFFAOYSA-N, MFCD22123847, Methyl 2-(4-bromomethylphenyl)propanoate, methyl 2-(4-bromomethylphenyl)propionate, SY386978, EN300-7354237, Methyl 4-(bromomethyl)-alpha-methylbenzeneacetate, 2-(4-bromomethyl-phenyl)-propionic acid methyl ester, methyl 4-(bromomethy) phenyl acetic acid methyl ester

Application

Methyl 2-[4-(bromomethyl)phenyl]propanoate is widely used as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and fine chemicals. Its reactive bromomethyl group allows for efficient functionalization, enabling the construction of complex molecular architectures. Researchers utilize this compound in Suzuki-Miyaura and other cross-coupling reactions to introduce phenylpropanoate motifs into target molecules. Additionally, it serves as a precursor in the development of liquid crystals and polymeric materials. Its stability and reactivity make it a valuable tool in medicinal chemistry and material science.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)
• STOT SE 3 (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.