CAS 1694-29-7

3-Chloro-2,4-pentanedione

Description:

3-Chloro-2,4-pentanedione, with the CAS number 1694-29-7, is an organic compound characterized by its diketone structure, featuring a chlorine atom at the 3-position of the pentanedione chain. This compound typically appears as a yellow to amber liquid and has a distinctive odor. It is soluble in organic solvents such as ethanol and acetone but has limited solubility in water due to its hydrophobic nature. The presence of the chlorine atom enhances its reactivity, making it useful in various chemical syntheses, including as an intermediate in the production of pharmaceuticals and agrochemicals. 3-Chloro-2,4-pentanedione can undergo typical reactions associated with diketones, such as nucleophilic addition and condensation reactions. Safety considerations are important when handling this compound, as it may pose health risks if inhaled or ingested, and appropriate protective measures should be taken. Overall, its unique chemical properties and reactivity make it a valuable compound in organic synthesis and industrial applications.

Formula: C₅H₇ClO₂

InChI: InChI=1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3

InChI key: InChIKey=VLRGXXKFHVJQOL-UHFFFAOYSA-N

SMILES: C(C(C)=O)(C(C)=O)Cl

Synonyms:

• (3Z)-3-chloro-4-hydroxypent-3-en-2-one
• 1-Acetyl-1-chloroacetone
• 2,4-Pentanedione, 3-chloro-
• 3-Chloro-2,4-dioxopentane
• 3-Chloro-2,4-pentadione
• 3-Chloro-2,4-pentanedione
• 3-Chloroacetylacetone
• 3-Chloropentan-2,4-dione
• α-Chloroacetylacetone
• 3-Chloropentane-2,4-dione

3-Chloroacetylacetone

CAS: 1694-29-7

Formula: C₅H₇ClO₂

Purity: >95.0%(GC)

Color and Shape: Light yellow to Amber to Dark green clear liquid

Molecular weight: 134.56

Ref: 3B-C1277

3-Chloroacetylacetone

CAS: 1694-29-7

Formula: C₅H₇ClO₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 134.5609

Ref: IN-DA0033NE

3-Chloropentane-2,4-dione

CAS: 1694-29-7

3-Chloropentane-2,4-dione

Purity: 98%

Color and Shape: Brown Liquid

Molecular weight: 134.56g/mol

Ref: 54-OR47825

3-Chloro-2,4-pentanedione

CAS: 1694-29-7

Purity: 95.0%

Color and Shape: Liquid

Molecular weight: 134.55999755859375

Ref: 10-F095830

3-Chloro-2,4-pentanedione

Controlled Product

CAS: 1694-29-7

Applications 3-Chloro-2,4-pentanedione is an useful building block reagent in the preparation of organic compounds of research interest that has been studied as a possible β-​diketone for antitumor treatment.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Nakano, K., et. al.: Anticancer Res., 24, 711 (2004);Lever, A. B. P.: Inorg. Chem., 29, 1271 (1990);Dawood, K., et. al.: Bioorg. Med. Chem., 14, 3672 (2006)

Formula: C₅H₇ClO₂

Color and Shape: Neat

Molecular weight: 134.56

Ref: TR-C350195

3-Chloro-2,4-pentanedione

CAS: 1694-29-7

3-Chloro-2,4-pentanedione is a model system that has been used to study the reaction mechanism of the intramolecular hydrogen transfer. This molecule was found to be more reactive in the presence of sodium carbonate and anhydrous sodium, which is due to protonation of the hydroxyl group on the ethylene diamine. 3-Chloro-2,4-pentanedione reacts with carbon disulphide and ethylene diamine to form 2,5-dimethylhexane-1,6-diol. 3D molecular docking analysis has shown that this compound binds to the ryanodine receptor and may be a potential therapeutic agent for patients with carcinoma cell lines.

Formula: C₅H₇ClO₂

Purity: Min. 95%

Color and Shape: Clear Liquid

Molecular weight: 134.56 g/mol

Ref: 3D-FC35362