CAS 765-69-5 2-Methylcyclopentane-1,3-Dione - Catalysts / Alfa Chemistry

Synonyms

MCULE-4418458735; AC1L20TT; AC1Q2QFE; EN300-21600; BR-50538; SCHEMBL661313; ZINC331660; 2-Methylcyclopentane-1,3-dione; NSC54458; EC 212-153-2;

IUPAC Name

2-methylcyclopentane-1,3-dione;

Molecular Weight

112.13

Molecular Formula

C6H8O2

Canonical SMILES

CC1C(=O)CCC1=O;

InChI

InChI=1S/C6H8O2/c1-4-5(7)2-3-6(4)8/h4H,2-3H2,1H3;

InChI Key

HXZILEQYFQYQCE-UHFFFAOYSA-N;

Purity

99%

Storage

Store below +30°C.

Complexity

122

Covalently-Bonded Unit Count

EC Number

212-153-2

Exact Mass

112.052g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

112.052g/mol

NSC Number

54458

Topological Polar Surface Area

34.1A^2

UNII

C9LG5VP01C

Application

2-Methylcyclopentane-1,3-Dione serves a vital role in various scientific explorations and synthetic processes. It has been utilized as a key reactant in the identification and characterization of benzil analogues, which are studied for their potential to inhibit mammalian carboxylesterases, enzymes involved in drug metabolism. Additionally, this compound has been employed in research investigating how deoxycholic acid, a secondary bile acid associated with several health conditions, influences cell signaling pathways. Moreover, it plays an integral part in the synthesis of complex organic molecules such as (-)-curcumanolide A and (-)-curcumalactone through aldol-lactonization reactions, underscoring its significance in advanced organic chemistry.

April 28, 2025

Excellent Reagent for Chemical Synthesis

Used 2-Methylcyclopentane-1,3-Dione from Alfa Chemistry for cell signaling research and synthesis studies. Reliable and effective, this crystalline powder significantly enhanced our project's efficiency and results. Highly recommend for scientific applications.