CAS 1989672-44-7

1-(1,1-Dimethylethyl) 1,1-cycloheptanedicarboxylate

Description:

1-(1,1-Dimethylethyl) 1,1-cycloheptanedicarboxylate is an organic compound characterized by its unique structure, which includes a cycloheptane ring substituted with two carboxylate groups and a tert-butyl group. This compound typically exhibits properties common to esters, such as being a colorless to pale yellow liquid with a pleasant odor. It is likely to be soluble in organic solvents while having limited solubility in water due to its hydrophobic cycloheptane framework. The presence of the tert-butyl group contributes to steric hindrance, which can influence its reactivity and interactions with other molecules. This compound may be of interest in various applications, including organic synthesis and as a potential intermediate in the production of pharmaceuticals or agrochemicals. Its stability and reactivity can be affected by factors such as temperature and the presence of catalysts. As with many organic compounds, safety precautions should be taken when handling it, including the use of appropriate personal protective equipment.

Formula: C₁₃H₂₂O₄

InChI: InChI=1S/C13H22O4/c1-12(2,3)17-11(16)13(10(14)15)8-6-4-5-7-9-13/h4-9H2,1-3H3,(H,14,15)

InChI key: InChIKey=RJSLYLOJHRCPMC-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)C1(C(O)=O)CCCCCC1

Synonyms:

• 1,1-Cycloheptanedicarboxylic acid, 1-(1,1-dimethylethyl) ester
• 1-(1,1-Dimethylethyl) 1,1-cycloheptanedicarboxylate

1-[(tert-Butoxy)carbonyl]cycloheptane-1-carboxylic acid

CAS: 1989672-44-7

Versatile small molecule scaffold

Formula: C₁₃H₂₂O₄

Purity: Min. 95%

Molecular weight: 242.31 g/mol

Ref: 3D-PED67244