825-31-0

Basic information

• Product Name: 1,3-Cyclopentanedione, 2-butyl-
• Synonyms: 1,3-Cyclopentanedione, 2-butyl-;2-Butyl-1,3-cyclopentanedione
• CAS NO: 825-31-0
• Molecular Formula: C9H14 O2
• Molecular Weight: 0
• Mol File: 825-31-0.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1,3-Cyclopentanedione, 2-butyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Cyclopentanedione, 2-butyl-(825-31-0)
• EPA Substance Registry System: 1,3-Cyclopentanedione, 2-butyl-(825-31-0)

Safety Data

• Hazardous Substances Data: 825-31-0(Hazardous Substances Data)

Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule. In this case, 1,3-Cyclopentanedione, 2-butylhas 9 carbon (C) atoms, 14 hydrogen (H) atoms, and 2 oxygen (O) atoms.

Explanation

The structure of 1,3-Cyclopentanedione, 2-butylconsists of a five-membered carbon ring (cyclopentane) with two carbonyl groups (C=O) attached to the first and third carbon atoms.

Explanation

The compound has a cyclic ketone structure due to the presence of the cyclopentane ring with carbonyl groups. Additionally, it has two carbonyl groups and a butyl group (a four-carbon alkyl chain) attached to the second carbon atom of the cyclopentane ring.

Explanation

1,3-Cyclopentanedione, 2-butylis used as an intermediate in the synthesis of other compounds, acting as a building block. It is also used as a reagent in various organic chemistry reactions. Furthermore, it plays a role in the research and development of new materials and pharmaceuticals.

Explanation

As with any chemical compound, it is essential to handle 1,3-Cyclopentanedione, 2-butylwith care due to its potential hazardous properties. These properties may include toxicity, flammability, or reactivity with other substances.

Explanation

The compound is used in multiple industries, including pharmaceuticals, materials science, and chemical manufacturing, for its versatility in synthesis and reactivity in organic chemistry reactions.

Explanation

To ensure the safety of individuals and the environment, it is crucial to follow proper handling, storage, and disposal procedures when working with 1,3-Cyclopentanedione, 2-butyl-. This may include using personal protective equipment, storing the compound in a secure and appropriate container, and disposing of it according to local regulations.

Chemical Structure

Cyclic ketone with a cyclopentane ring and two carbonyl groups at the 1 and 3 positions.

Functional Groups

Cyclic ketone, carbonyl groups, and a butyl group.

Applications

Intermediate for synthesis, reagent in organic chemistry, research and development in new materials and pharmaceuticals.

Hazardous Properties

Potential hazards should be considered when handling the compound.

Industrial Use

Various industries utilize the compound for different purposes.

Safety Precautions

Proper handling, storage, and disposal are necessary to minimize risks.

Upstream product

• 110-15-6 succinic acid 
• 142-61-0 Hexanoyl chloride 
• 3859-41-4 1,3-cyclopentadione 
• 123-72-8 butyraldehyde 

Relevant articles and documents

Highly Enantioselective, Organocatalytic, and Scalable Synthesis of a Rare cis,cis-Tricyclic Diterpenoid

A highly enantioselective, organocatalytic, and scalable synthesis of a very unusual cis-decalin-cis-hydrindane tricyclic diterpenoid system has been achieved. Despite the prevalent pharmacological space that the related trans,trans and trans,cis-systems occupy, there have been no reports of an asymmetric synthesis of the cis,cis systems in the literature until now. We demonstrate the flexibility of our approach not only through access to a diverse range of products, all of which are attained in exceptionally high selectivities, but also by showing their easy conversion to the corresponding trans,cis-system and other derivatives.

Synergistic Catalysis: Metal/Proton-Catalyzed Cyclization of Alkynones Toward Bicyclo[3.n.1]alkanones

A highly efficient and practical synergistically metal/proton-catalyzed Conia-ene reaction for the synthesis of bicyclo[3.n.1]alkanones has been developed. This synergistic catalysis was successfully utilized in modifying natural compounds such as methyl dihydrojasmonate, α,β-thujone, and 5α-cholestan-3-one. Furthermore, the bridged carbonyl group of bicyclo[3.2.1]alkanones could be easily attacked by nucleophiles to give the ring-opened cycloheptenone products or bicyclo[4.2.1]amide in excellent yields. These reactions provide rapid access to a diverse range of cyclic structures from simple starting materials or naturally occurring compounds. A highly efficient and practical synergistically metal/proton-catalyzed Conia-ene reaction for the synthesis of bicyclo[3.n.1]alkanones has been developed. The reaction was successfully utilized in modifying natural compounds such as methyl dihydrojasmonate, α,β-thujone, and 5α-cholestan-3-one. Furthermore, the bicyclo[3.2.1]alkanones can be ring-opened by nucleophiles to give the corresponding products in excellent yields.

Reaction of Aliphatic Dicarboxylic Acids with Acyl Chlorides in the Presence of Aluminum Chloride

The treatment of succinic acid with lauroyl or stearoyl chloride gave the five-membered β-diketone (II) substituted with a long chain at the α-position, together with a trimer (III) of the acyl chloride.Bicyclononane-2,4-dione (VI) substituted with a methyl or ethyl group at the C3-position was prepared from cyclohexane-1,3-dicarboxylic acid (V) and propionyl or butyryl chloride, respectively.D-Camphoric acid afforded an unexpected product, 4-acyl-2,2,3-trimethyl-3-cyclopentenecarboxylic acid (IX), on reaction with acyl chloride.Although acetyl chloride gave no product on treatment with succinic acid, it afforded 3-acetylbicyclooctane-2,4-dione (XI), 3-acetylbicyclononane-2,4-dione (VId), and 2-acetylcyclohexane-1,3-dione (XII) on reaction with the corresponding dicarboxylic acids.Keywords - β-diketone; cyclic β-diketone; bicyclic β-diketone; dicarboxylic acid; aluminum chloride; acyl chloride; bicycloalkane-2,4-dione