Description

Benzeneacetic acid, 4-(methoxycarbonyl)-, methyl ester (CAS No. 52787-14-1) is a high-purity organic compound with the molecular formula C₁₁H₁₂O₄. This versatile ester derivative is widely used in pharmaceutical research, organic synthesis, and material science applications. Its unique structure, featuring both a benzeneacetic acid core and methoxycarbonyl functional groups, makes it an ideal intermediate for the development of fine chemicals and active pharmaceutical ingredients (APIs).

Our product is rigorously tested to ensure >98% purity by HPLC and is supplied as a white to off-white crystalline powder. It is packaged under inert conditions to guarantee stability and longevity. Suitable for laboratory and industrial-scale applications, this compound is an essential building block for researchers working on novel drug formulations, polymer chemistry, and specialty chemical synthesis.

Key Specifications:
– CAS: 52787-14-1
– Molecular Weight: 208.21 g/mol
– Purity: ≥98% (HPLC)
– Melting Point: 50-52°C
– Storage: Store at 2-8°C in a tightly sealed container

Properties

• CAS Number: 52787-14-1
• Complexity: 229
• IUPAC Name: methyl 4-(2-methoxy-2-oxo-ethyl)benzoate
• InChI: InChI=1S/C11H12O4/c1-14-10(12)7-8-3-5-9(6-4-8)11(13)15-2/h3-6H,7H2,1-2H3
• InChI Key: QAQYBHOZQQRJBA-UHFFFAOYSA-N
• Exact Mass: 208.07355886
• Molecular Formula: C11H12O4
• Molecular Weight: 208.21
• SMILES: COC(=O)CC1=CC=C(C=C1)C(=O)OC
• Topological: 52.6
• Monoisotopic Mass: 208.07355886
• Synonyms: Benzeneacetic acid, 4-(methoxycarbonyl)-, methyl ester, 692-016-5, methyl 4-(2-methoxy-2-oxoethyl)benzoate, 52787-14-1, 4-METHOXYCARBONYLMETHYL-BENZOIC ACID METHYL ESTER, DIMETHYL HOMOTEREPHTHALATE, MFCD07779210, homoterephthalic acid dimethyl ester, 4-Methoxycarbonylmethylbenzoic acid methyl ester, Homoterephalic acid, 4-(Methoxycarbonyl)benzeneacetic acid methyl ester, Methyl 4-Methoxycarbonylphenylacetate, Methyl 4-(2-methoxy-2-oxo-ethyl)benzoate, SCHEMBL1198228, DTXSID50441409, QAQYBHOZQQRJBA-UHFFFAOYSA-N, Dimethyl p-(carboxymethyl)benzoate, BCP27355, CS-M1409, AKOS015890025, FH31070, MB04758, Methyl 4-(Methoxycarbonyl)phenylacetate, methyl4-(2-methoxy-2-oxoethyl)benzoate, AC-28389, AS-18399, SY020974, DB-028954, D5266, 4-Methoxycarbonylphenylacetic Acid Methyl Ester, 4-(2-Methoxy-2-oxoethyl)benzoic Acid Methyl Ester

This compound serves as a key intermediate in the synthesis of complex organic molecules, particularly in pharmaceutical research where it’s used to develop potential drug candidates. Its dual ester functionality makes it valuable for creating polymer precursors and specialty materials. Researchers also utilize it as a building block in heterocyclic chemistry and as a reference standard in analytical applications.

Safety and Hazards

GHS Hazard Statements

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264+P265, P280, P305+P351+P338, and P337+P317

Hazard Classes and Categories

• Eye Irrit. 2 (100%)

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