Description

Methyl 2-(4-(bromomethyl)phenyl)acetate (CAS No. 7398-42-7) is a high-purity organic compound with the molecular formula C₁₀H₁₁BrO₂. This versatile brominated ester is widely used in pharmaceutical and agrochemical research as a key intermediate in the synthesis of active ingredients and fine chemicals. The compound features a reactive bromomethyl group, making it ideal for nucleophilic substitution reactions, cross-coupling reactions, and as a building block for more complex molecular structures. Supplied as a crystalline solid with >95% purity (HPLC), it is rigorously tested for consistency and stability, ensuring reliable performance in synthetic applications. Suitable for use in laboratory-scale experiments and industrial R&D, this product is packaged under inert conditions to maintain integrity and shelf life.

Properties

• CAS Number: 7398-42-7
• Complexity: 162
• IUPAC Name: methyl 2-[4-(bromomethyl)phenyl]acetate
• InChI: InChI=1S/C10H11BrO2/c1-13-10(12)6-8-2-4-9(7-11)5-3-8/h2-5H,6-7H2,1H3
• InChI Key: APXOMRFLJBRHNX-UHFFFAOYSA-N
• Exact Mass: 241.99424
• Molecular Formula: C10H11BrO2
• Molecular Weight: 243.10
• SMILES: COC(=O)CC1=CC=C(C=C1)CBr
• Topological: 26.3
• Monoisotopic Mass: 241.99424
• Synonyms: Methyl 2-(4-(bromomethyl)phenyl)acetate, Methyl 2-[4-(bromomethyl)phenyl]acetate, 811-381-5, 7398-42-7, Methyl 4-(bromomethyl)phenylacetate, 4-(Bromomethyl)phenylaceticacidphenacylester, MFCD07783030, Methyl [4-(bromomethyl)phenyl]acetate, (4-Bromomethylphenyl)acetic acid methyl ester, Benzeneacetic acid, 4-(bromomethyl)-, methyl ester, (4-Bromomethyl-phenyl)-acetic acid methyl ester, Methyl2-(4-(bromomethyl)phenyl)acetate, SCHEMBL334884, methyl 4-bromomethylphenylacetate, DTXSID30472231, APXOMRFLJBRHNX-UHFFFAOYSA-N, BCP24402, CS-M2747, methyl (4-bromomethyl-phenyl)acetate, methyl[4-(bromomethyl)phenyl]acetate, AKOS015951139, Methyl 2-(4-bromomethyl-phenyl)-acetate, AS-18529, SY059274, 4-Bromomethylphenylacetic acid methyl ester, 4-bromomethylphenyl acetic acid methyl ester, EN300-100852, 2-(4-(bromomethyl)phenyl)acetic acid methyl ester

Methyl 2-(4-(bromomethyl)phenyl)acetate is primarily employed as a synthetic intermediate in medicinal chemistry for the development of biologically active compounds. Its reactive bromomethyl group facilitates the introduction of phenylacetic acid derivatives into target molecules, enabling the construction of drug candidates and functional materials. Researchers also utilize this compound in peptide modifications and polymer chemistry due to its ability to act as a linker or spacer. It is particularly valuable in Suzuki-Miyaura cross-coupling reactions for constructing biaryl systems. Proper handling under anhydrous conditions is recommended to preserve reactivity.

Safety and Hazards

GHS Hazard Statements

• H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (66.7%)
• Skin Corr. 1B (100%)
• STOT SE 3 (66.7%)

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