1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid dimethyl ester

CAS: 115913-32-1

Ref. 3D-FB33676

Product Information

• Name: 1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid dimethyl ester

Description

1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid dimethyl ester is a fluorinated analog of the diacid 1,2-cyclohexanedicarboxylic acid. It has been studied by computational and experimental methods to elucidate its properties. 1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid dimethyl ester has been shown to undergo bond cleavage at the C-C and C-F bonds with a half life of approximately one day under simulated physiological conditions. The single crystal X-ray diffraction study showed that 1,2-bicyclo[1,1,1]pentane-1,3-dicarboxylic acid dimethyl ester has a planarity of 0.539(6) Å for the central carbon atom.

• Brand: Biosynth

Chemical properties

• Molecular weight: 184.19 g/mol
• Formula: C₉H₁₂O₄
• Purity: Min. 95%
• InChI: InChI=1S/C9H12O4/c1-12-6(10)8-3-9(4-8,5-8)7(11)13-2/h3-5H2,1-2H3
• InChI key: InChIKey=TWMHLEILGHXLSY-UHFFFAOYSA-N
• SMILES: COC(=O)C12CC(C(=O)OC)(C1)C2