Description

2-[p-(Chloromethyl)phenyl]propionic acid methyl ester (CAS No. 80530-54-7) is a high-purity organic compound with the molecular formula C₁₁H₁₃ClO₂. This ester derivative features a chloromethyl functional group attached to a phenyl ring, making it a versatile intermediate in synthetic organic chemistry. Its IUPAC name is methyl 2-[4-(chloromethyl)phenyl]propanoate, and it is characterized by its clear to pale-yellow appearance under standard conditions. Suitable for laboratory and industrial use, this compound is rigorously tested for quality, ensuring optimal performance in applications such as pharmaceutical synthesis, agrochemical production, and material science research. Store in a cool, dry place away from direct sunlight to maintain stability.

Properties

• CAS Number: 80530-54-7
• Complexity: 186
• IUPAC Name: methyl 2-[4-(chloromethyl)phenyl]propanoate
• InChI: InChI=1S/C11H13ClO2/c1-8(11(13)14-2)10-5-3-9(7-12)4-6-10/h3-6,8H,7H2,1-2H3
• InChI Key: KUAZONGQIBBKOP-UHFFFAOYSA-N
• Exact Mass: 212.0604073
• Molecular Formula: C11H13ClO2
• Molecular Weight: 212.67
• SMILES: CC(C1=CC=C(C=C1)CCl)C(=O)OC
• Topological: 26.3
• Monoisotopic Mass: 212.0604073
• Synonyms: 80530-54-7, 2-[p-(Chloromethyl)phenyl]propionic acid methyl ester, Methyl 2-[4-(chloromethyl)phenyl]propanoate, Methyl 2-(4-(chloromethyl)phenyl)propanoate, SCHEMBL7619765, DTXSID001248934, Methyl 4-(chloromethyl)-I+/–methylbenzeneacetate

Application

2-[p-(Chloromethyl)phenyl]propionic acid methyl ester is widely used as a key intermediate in the synthesis of fine chemicals and active pharmaceutical ingredients (APIs). Its reactive chloromethyl group enables facile functionalization, making it valuable for constructing complex molecular architectures. Researchers employ this compound in the development of novel polymers and specialty materials due to its ability to participate in crosslinking reactions. Additionally, it serves as a precursor in agrochemical manufacturing for crop protection agents. Always handle with appropriate safety precautions, including gloves and eye protection.

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