CAS 542-05-2

3-Oxopentanedioic acid

Description:

3-Oxopentanedioic acid, also known as 3-oxoglutaric acid or α-ketoglutaric acid, is an organic compound characterized by its dicarboxylic acid structure. It features two carboxyl groups (-COOH) and a ketone group (C=O) adjacent to one of the carboxyl groups, making it a key intermediate in various metabolic pathways, particularly in the Krebs cycle. This compound is a colorless to pale yellow solid that is soluble in water, reflecting its polar nature due to the presence of multiple functional groups. It has a slightly acidic pH, typical of dicarboxylic acids, and can participate in various chemical reactions, including decarboxylation and condensation. 3-Oxopentanedioic acid plays a significant role in biochemistry, serving as a precursor for amino acids and other important biomolecules. Additionally, it has applications in the pharmaceutical and food industries, where it may be used as a flavoring agent or a supplement. Its CAS number, 542-05-2, is a unique identifier that facilitates its identification in chemical databases and regulatory frameworks.

Formula: C₅H₆O₅

InChI: InChI=1/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)/p-2

InChI key: InChIKey=OXTNCQMOKLOUAM-UHFFFAOYSA-N

SMILES: C(C(CC(O)=O)=O)C(O)=O

Synonyms:

• 1,3-Acetone diacrboxylic acid
• 1,3-Dicarboxyacetone
• 3-Ketoglutaric acid
• 3-Oxoglutaric acid
• 3-Oxopentanedioate
• 3-Oxopentanedioic acid
• Acetone-1,3-dicarboxylic acid
• Glutaric acid, 3-oxo-
• Glutaric acid, β-oxo-
• Pentanedioic acid, 3-oxo-
• s-Acetonedicarboxylic acid
• β-Ketoglutaric acid
• β-Oxoglutaric acid
• 3-Oxopentane-1,5-dioic acid
• ACETONEDIACETIC ACID
• 1,3-Acetonedicarboxylic
• ACETONEDICARBOXYLIC ACID
• β-Ketoglutaric scid
• 1,3-ACETONEDICARBOXYLIC ACID, 3-KETOGLUTARIC ACID
• 1,3-ACETONEDICARBOXYLIC ACID OR 3-KETOGLUTARIC ACID OR 3-OXO-PENTANEDIOIC ACID
• 1,3-Acetonediacrboxylicacid
• BETA-OXOGLUTARIC ACID
• 1,3-ACETONEDICARBOXYLIC ACID
• BETA-KETOGLUTARIC ACID
• 2-OXO-1,3-PROPANE DICARBOXYLIC ACID
• 3-oxo-pentanedioicaci
• 1,3-ACETONEDICARBOXYLIC ACID, TECH.

1,3-Acetonedicarboxylic Acid

CAS: 542-05-2

Formula: C₅H₆O₅

Purity: >95.0%(T)

Color and Shape: White to Light yellow to Light orange powder to crystal

Molecular weight: 146.10

Ref: 3B-K0006

Acetone-1,3-dicarboxylic acid, 97%

CAS: 542-05-2

Acetone-1,3-dicarboxylic acid is used as a building block in organic chemistry. It is also used in the synthesis of hetrocyclic rings and in the Weiss-Cook reaction, which involves the preparation of cis-bicyclo[3.3.0]octane-3,7-dione by reacting with diacyl (1,2 ketone). Its presence in human urine

Formula: C₅H₄O₅

Purity: 97%

Color and Shape: White to pale cream, Crystals or powder or crystalline powder

Molecular weight: 144.08

Ref: 02-A13742

Acetone-1,3-dicarboxylic acid

CAS: 542-05-2

Formula: C₅H₆O₅

Purity: 95%

Color and Shape: Solid

Molecular weight: 146.0981

Ref: IN-DA0032L7

Acetone-1,3-dicarboxylic acid

CAS: 542-05-2

Acetone-1,3-dicarboxylic acid

Purity: 96%

Molecular weight: 146.09814g/mol

Ref: 54-OR11107

1,3-Acetonedicarboxylic acid

CAS: 542-05-2

Formula: C₅H₆O₅

Purity: ≥ 98.0%

Color and Shape: White to light yellow crystalline solid

Molecular weight: 146.10

Ref: 7W-GK7561

3-Oxopentanedioic acid

CAS: 542-05-2

3-Oxopentanedioic acid, a simple carboxylic acid, is useful in organic synthesis and a microbial metabolite.

Formula: C₅H₆O₅

Color and Shape: Colourless Solid Powder

Molecular weight: 146.1

Ref: TM-T5614

Metronidazole Impurity 15

CAS: 542-05-2

Formula: C₅H₆O₅

Molecular weight: 146.10

Ref: 4Z-M-6328

1,3-Acetonedicarboxylic acid

CAS: 542-05-2

1,3-Acetonedicarboxylic acid is a crystalline solid that belongs to the group of carboxylic acids. 1,3-Acetonedicarboxylic acid interacts with its receptor by binding to a hydroxyl group and two hydrogen atoms. It has been shown that 1,3-acetonedicarboxylic acid can inhibit HIV infection in vitro by preventing the virus from attaching to cells. It also inhibits malonic acid oxidation and citric acid cycle enzymes in rat liver mitochondria. The synthesis of 1,3-acetonedicarboxylic acid can be achieved through different methods:

1) By reacting sodium carbonate with malonic acid
2) By reacting hydrogen fluoride with malonic acid
3) By reacting sodium carbonate with citric acid (malonic ester) and then hydrolyzing it
4) By reacting sodium carbonate with malonitrile and then hydro

Formula: C₅H₆O₅

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 146.1 g/mol

Ref: 3D-FA00389

1,3-Acetonedicarboxylic acid

CAS: 542-05-2

Formula: C₅H₆O₅

Purity: 95.0%

Color and Shape: Solid

Molecular weight: 146.098

Ref: 10-F066651

β-Ketoglutaric Acid

CAS: 542-05-2

Stability Unstable in Solution
Applications β-Ketoglutaric Acid is used in the synthesis of benzodiazepine derivatives. Also used in the synthesis of orally available hepatitis C virus polymerase inhibitors.
References Jung, D. et al.: Synth. Comm., 29, 1941 (1999); Li, H. et al.: J. Med. Chem., 52, 1255 (2009);

Formula: C₅H₆O₅

Color and Shape: Off White Powder

Molecular weight: 146.098

Ref: TR-K191205