2-Methylcyclopentane-1,3-dione, 98%, Thermo Scientific Chemicals

Product Code	Brand	Quantity
11411668	Thermo Scientific Alfa Aesar A13936.06	5 g
11421668	Thermo Scientific Alfa Aesar A13936.14	25 g
11431668	Thermo Scientific Alfa Aesar A13936.22	100 g

Description

2-Methylcyclopentane-1,3-dione is an efficient synthon for the synthesis of (±)-α-cuparenone. The alkylation of 2-methylcyclopentane-1,3-dione (A) with 2-(1-naphthyl)ethyl bromide gives only the O-alkylation product. Mixtures of C- and O-alkyl derivatives are obtained. Michael addition of 2-methylcyclopentane-1,3-dione to methyl vinyl ketone in water gives 2-methyl-2-(3-oxo- butyl)-1,3-cyclopentanedione (3), an important intermediate of natural product chemistry. 2-Methylcyclopentane-1, 3-dione is an efficient synthon for the synthesis of (±)-α-cuparenone.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
2-Methylcyclopentane-1,3-dione is an efficient synthon for the synthesis of (±)-α-cuparenone. The alkylation of 2-methylcyclopentane-1,3-dione (A) with 2-(1-naphthyl)ethyl bromide gives only the O-alkylation product. Mixtures of C- and O-alkyl derivatives are obtained. Michael addition of 2-methylcyclopentane-1,3-dione to methyl vinyl ketone in water gives 2-methyl-2-(3-oxo- butyl)-1,3-cyclopentanedione (3), an important intermediate of natural product chemistry. 2-Methylcyclopentane-1, 3-dione is an efficient synthon for the synthesis of (±)-α-cuparenone.

Solubility
Solubility in hot Methanol (almost transparency).

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents.

Chemical Identifiers

• CAS: 765-69-5
• Molecular Weight (g/mol): 112.128
• InChI Key: HXZILEQYFQYQCE-UHFFFAOYSA-N
• PubChem CID: 13005
• SMILES: CC1C(=O)CCC1=O

• Molecular Formula: C6H8O2
• MDL Number: MFCD00001406
• Synonym: 2-methyl-1,3-cyclopentanedione, 1,3-cyclopentanedione, 2-methyl, 2-methyl-1,3-cyclopentadione, 2-methyl-cyclopentane-1,3-dione, unii-c9lg5vp01c, c9lg5vp01c, methylcycle-d, pubchem2206, acmc-209p4n, benzil-related compound, 46
• IUPAC Name: 2-methylcyclopentane-1,3-dione

Specifications

• CAS: 765-69-5
• Molecular Formula: C6H8O2
• Beilstein: 1237255
• InChI Key: HXZILEQYFQYQCE-UHFFFAOYSA-N
• IUPAC Name: 2-methylcyclopentane-1,3-dione
• PubChem CID: 13005
• Percent Purity: 98%

• Melting Point: 212°C to 216°C
• MDL Number: MFCD00001406
• Synonym: 2-methyl-1,3-cyclopentanedione, 1,3-cyclopentanedione, 2-methyl, 2-methyl-1,3-cyclopentadione, 2-methyl-cyclopentane-1,3-dione, unii-c9lg5vp01c, c9lg5vp01c, methylcycle-d, pubchem2206, acmc-209p4n, benzil-related compound, 46
• SMILES: CC1C(=O)CCC1=O
• Molecular Weight (g/mol): 112.128
• Formula Weight: 112.13
• Chemical Name or Material: 2-Methylcyclopentane-1,3-dione

Safety and Handling

H500

missing translation for 'einecsNumber' : 212-153-2

missing translation for 'tsca' : No

Recommended Storage : Ambient temperatures

RUO – Research Use Only