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CAS 1113001-78-7

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1,1-Dimethylethyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-acetate

Description:
1,1-Dimethylethyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-acetate, identified by its CAS number 1113001-78-7, is a chemical compound characterized by its bicyclic structure, which includes a bicyclo[1.1.1]pentane framework. This compound features a tert-butyl group (1,1-dimethylethyl) and a hydroxymethyl group, contributing to its unique reactivity and potential applications in organic synthesis. The presence of an acetate functional group indicates that it can participate in esterification reactions, making it useful in various chemical processes. Its structural features suggest it may exhibit interesting physical properties, such as solubility in organic solvents and potential volatility. Additionally, the bicyclic nature of the compound may impart rigidity to its structure, influencing its interaction with biological systems or other chemical entities. Overall, this compound's distinctive characteristics make it a subject of interest in both synthetic organic chemistry and potential applications in materials science or pharmaceuticals.
Formula:C12H20O3
InChI:InChI=1S/C12H20O3/c1-10(2,3)15-9(14)4-11-5-12(6-11,7-11)8-13/h13H,4-8H2,1-3H3
InChI key:InChIKey=XLCPGBUFZLHWOH-UHFFFAOYSA-N
SMILES:C(C(OC(C)(C)C)=O)C12CC(CO)(C1)C2
Synonyms:
  • 1,1-Dimethylethyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-acetate
  • Bicyclo[1.1.1]pentane-1-acetic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester
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