Description

2-(4-(Bromomethyl)phenyl)propionic Acid (CAS No. 111128-12-2) is a high-purity brominated aromatic compound with the molecular formula C₁₀H₁₁BrO₂. This white to off-white crystalline powder is a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research. With a molecular weight of 243.10 g/mol, it features a reactive bromomethyl group adjacent to a propionic acid moiety, making it ideal for further functionalization via nucleophilic substitution or coupling reactions. The compound is characterized by its high stability under standard laboratory conditions and is supplied with comprehensive analytical data including HPLC, NMR, and MS for quality assurance. Suitable for use in controlled environments, it is packaged in amber glass vials under inert gas to ensure prolonged shelf life.

Properties

• CAS Number: 111128-12-2
• Complexity: 174
• IUPAC Name: 2-[4-(bromomethyl)phenyl]propanoic acid
• InChI: InChI=1S/C10H11BrO2/c1-7(10(12)13)9-4-2-8(6-11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)
• InChI Key: QQXBRVQJMKBAOZ-UHFFFAOYSA-N
• Exact Mass: 241.99424
• Molecular Formula: C10H11BrO2
• Molecular Weight: 243.10
• SMILES: CC(C1=CC=C(C=C1)CBr)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 241.99424
• Synonyms: 2-[4-(Bromomethyl)phenyl]propionic Acid, 2-(4-(Bromomethyl)phenyl)propionic Acid, 627-148-4, 111128-12-2, 2-(4-(Bromomethyl)phenyl)propanoic acid, 2-[4-(Bromomethyl)phenyl]propanoic acid, 2-(4-Bromomethyl)phenylpropionic acid, 2-(4-Bromomethyl-phenyl)-propionic acid, Loxoprofen Impurity 28, BMPPA, 4-(Bromomethyl)hydratropic Acid, 4-(Bromomethyl)-alpha-methylbenzeneacetic Acid; 2-[4-(Bromomethyl)phenyl]propanoic Acid; 2-[p-(Bromomethyl)phenyl]propionic Acid, MFCD02093445, Loxoprofen intermediate, SCHEMBL346789, DTXSID10370064, 4-(1-Carboxyethyl)benzyl bromide, BCP12222, BBL103414, SBB064013, STL557224, 2-(4-bromomethylphenyl)propionic acid, AKOS015889848, CS-W012755, GS-3022, 2-(4-(Bromomethyl)phenyl)propanoicacid, 2-(4-bromomethylphenyl)-proprionic acid, AC-30317, DB-040954, B2101, 2-[4-(Bromomethyl)phenyl]propionic acid, 96%, EN300-157261

Application

2-(4-(Bromomethyl)phenyl)propionic Acid is widely used as a key intermediate in the synthesis of non-steroidal anti-inflammatory drugs (NSAIDs) and other bioactive molecules. Its reactive bromomethyl group enables efficient incorporation into larger molecular frameworks via Suzuki-Miyaura or Buchwald-Hartwig coupling reactions. Researchers also utilize this compound in the development of prodrugs and targeted delivery systems due to its modifiable carboxylic acid functionality.

Safety and Hazards

GHS Hazard Statements

• H314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Corr. 1B (97.6%)

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