155756

2,2,6,6-Tetramethyl-3,5-heptanedione

98%

• Synonym(s): Dipivaloylmethane
• Linear Formula: (CH₃)₃CCOCH₂COC(CH₃)₃
• CAS Number: 1118-71-4
• Molecular Weight: 184.28
• Beilstein: 1447269
• EC Number: 214-268-3
• MDL number: MFCD00008848
• UNSPSC Code: 12352100
• PubChem Substance ID: 24849563
• NACRES: NA.22

Properties

• Quality Level: 200
• Assay: 98%
• form: liquid
• refractive index: n20/D 1.459 (lit.)
• bp: 72-73 °C/6 mmHg (lit.)
• density: 0.883 g/mL at 25 °C (lit.)
• functional group: ketone
• SMILES string: CC(C)(C)C(=O)CC(=O)C(C)(C)C
• InChI: 1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3
• InChI key: YRAJNWYBUCUFBD-UHFFFAOYSA-N

Description

General description

2,2,6,6-Tetramethyl-3,5-heptanedione is a bidentate ligand used in the synthesis of stable complexes with lanthanide ions. [1] [2]

2,2,6,6-Tetramethyl-3,5-heptanedioneis a stable, anhydrous reagent. It undergoes O-additions and C-additions. In various reactions, it acts as an air-stable ligand for metal catalysts. Furthermore, it serves as a substrate for heterocycles.[3][4]

Application

2,2,6,6-tetramethyl-3,5-heptanedione was used in the synthesis of α-aryl-β-diketones[5] and dicyanamidobenzene-bridge diruthenium complex[6].

2,2,6,6-Tetramethyl-3,5-heptanedione used as a ancillary ligand in the synthesis of orange-emitting iridium(III) complex.[7]

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 1
• Flash Point(F): 152.6 °F - closed cup
• Flash Point(C): 67 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves