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CAS 5535-03-5

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methyl 4-(oxiran-2-ylmethoxy)benzoate

Description:
Methyl 4-(oxiran-2-ylmethoxy)benzoate, with the CAS number 5535-03-5, is an organic compound characterized by its ester functional group and the presence of an epoxide (oxirane) moiety. This compound features a benzoate structure, where a methyl ester is attached to a benzene ring substituted with a methoxy group linked to an epoxide. The presence of the epoxide group indicates that it may exhibit reactivity typical of epoxides, such as undergoing ring-opening reactions under certain conditions. Methyl 4-(oxiran-2-ylmethoxy)benzoate is likely to be a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It may have applications in organic synthesis, particularly in the preparation of more complex molecules, and could also serve as an intermediate in the production of pharmaceuticals or agrochemicals. Safety data should be consulted for handling and storage, as compounds with epoxide groups can be hazardous due to their potential reactivity and toxicity.
Formula:C11H12O4
InChI:InChI=1/C11H12O4/c1-13-11(12)8-2-4-9(5-3-8)14-6-10-7-15-10/h2-5,10H,6-7H2,1H3
InChI key:GVMPCQYYYYFGMV-UHFFFAOYSA-N
SMILES:COC(=O)c1ccc(cc1)OCC1CO1
Synonyms:
  • Benzoic acid, 4-(oxiranylmethoxy)-, methyl ester
  • Benzoic acid, 4-(2-oxiranylmethoxy)-, methyl ester
  • 4-(2,3-epoxypropyloxy)Methyl benzoate
  • 4-(2-Oxiranylmethoxy)benzoic Acid Methyl Ester
  • Methyl 4-(2,3-Epoxypropoxy)benzoate
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