10396-80-2 | 2,6-Di(tert-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$83.00	$59.00
250mg	95%	in stock	$110.00	$77.00
5g	95%	in stock	$1,878.00	$1,315.00

Description

• Catalog Number: AD68999
• Chemical Name: 2,6-Di(tert-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one
• CAS Number: 10396-80-2
• Molecular Formula: C15H24O2
• Molecular Weight: 236.3499
• MDL Number: MFCD01734499
• SMILES: O=C1C(=CC(C=C1C(C)(C)C)(C)O)C(C)(C)C

Computed Properties

• Complexity: 364
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 3.5

Upstream Synthesis Route

2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-hydroxy-4-methyl is a versatile compound widely used in chemical synthesis for its unique properties and reactivity. This compound serves as a valuable building block in the creation of various organic molecules due to its ability to undergo a variety of chemical reactions.In chemical synthesis, 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-hydroxy-4-methyl can act as a precursor for the synthesis of complex aromatic compounds through cyclization reactions. Its structural features make it suitable for participating in Diels-Alder reactions, where it can serve as a dienophile in the formation of cyclic structures.Furthermore, this compound can also be utilized in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. Its functional groups and stability allow for the introduction of various substituents, enabling the modification of its reactivity and properties to suit specific synthetic needs.Overall, 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-hydroxy-4-methyl is a valuable intermediate in chemical synthesis, offering chemists a strategic tool for constructing complex organic molecules with precision and efficiency.

Literature

• Screening of endocrine activity of compounds migrating from plastic baby bottles using a multi-receptor panel of in vitro bioassays.

  Toxicology in vitro : an international journal published in association with BIBRA 20161201

• Lung toxicity and tumor promotion by hydroxylated derivatives of 2,6-di-tert-butyl-4-methylphenol (BHT) and 2-tert-butyl-4-methyl-6-iso-propylphenol: correlation with quinone methide reactivity.

  Chemical research in toxicology 20020801

• Down-regulation by butylated hydroxytoluene of the number and function of gap junctions in epithelial cell lines derived from mouse lung and rat liver.

  Carcinogenesis 19951001