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TCI

CAS 3779-29-1

Diethyl 1,1-Cyclobutanedicarboxylate TCI C0942

Diethyl 1,1-Cyclobutanedicarboxylate TCI C0942

Chemical Identity

Other names
1,1-Cyclobutanedicarboxylic Acid Diethyl Ester
CAS No.
3779-29-1
PubChem
CID 77410·SID 87565992
Formula
C10H16O4
Molecular weight
200.23 g/mol
Purity
>97.0%(GC)
Reference databases
ECHA
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
diethyl cyclobutane-1,1-dicarboxylate
SMILES
CCOC(=O)C1(CCC1)C(=O)OCC
InChIKey
JPNJEJSZSMXWSV-UHFFFAOYSA-N
MDL
MDL00019261
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Diethyl 1,1-cyclobutanedicarboxylate is a malonate-type diester in which both ester groups sit on a single quaternary carbon of a strained four-membered ring. Hydrolysis followed by decarboxylation provides a classical route to cyclobutanecarboxylic acid derivatives, an increasingly popular motif for adding three-dimensional character to drug candidates. The ester groups can equally be reduced to diols or converted to amides, making the compound a flexible entry point into substituted and spirocyclic cyclobutanes. TCI supplies this liquid in 5 mL and 25 mL packs; handle it in a fume hood and store it tightly closed in a cool, dry, well-ventilated area.

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