637-88-7 | 1,4-Cyclohexanedione

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$6.00	$4.00
5g	95%	in stock	$8.00	$5.00
25g	95%	in stock	$13.00	$9.00
100g	95%	in stock	$26.00	$18.00

Description

• Catalog Number: AB43168
• Chemical Name: 1,4-Cyclohexanedione
• CAS Number: 637-88-7
• Molecular Formula: C6H8O2
• Molecular Weight: 112.1265
• MDL Number: MFCD00001606
• SMILES: O=C1CCC(=O)CC1
• NSC Number: 7192

Computed Properties

• Complexity: 98.5
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 2
• XLogP3: -0.6

Upstream Synthesis Route

1,4-Cyclohexanedione, also known as para-cyclohexanedione, is a versatile compound widely used in chemical synthesis. One of its primary applications is as a building block for the synthesis of various organic compounds. Due to its unique structure and reactivity, 1,4-Cyclohexanedione serves as a key intermediate in the preparation of heterocyclic compounds, pharmaceuticals, and agricultural chemicals.In organic synthesis, 1,4-Cyclohexanedione participates in various reactions such as condensation, hydrogenation, and oxidation processes. It can undergo Diels-Alder reactions to form cyclic compounds and can also act as a starting material for the synthesis of complex derivatives. The presence of two carbonyl groups in 1,4-Cyclohexanedione provides multiple sites for functionalization, allowing chemists to introduce different substituents and create diverse molecular structures.Furthermore, 1,4-Cyclohexanedione is utilized in the production of flavors, fragrances, and dyes due to its ability to impart specific characteristics and properties to these compounds. Its cyclic nature and stability make it a valuable precursor in the development of new materials and chemical products with desired features.Overall, 1,4-Cyclohexanedione plays a crucial role in the realm of chemical synthesis, offering a range of possibilities for the creation of novel molecules and enhancing the understanding of organic chemistry principles.

Literature

• Are uncatalyzed bromate oscillators truly gas-free?

  The journal of physical chemistry. A 20110623

• Rehydrated sterically stabilized phospholipid nanomicelles of budesonide for nebulization: physicochemical characterization and in vitro, in vivo evaluations.

  International journal of nanomedicine 20110101

• Aminodifluorosulfinium tetrafluoroborate salts as stable and crystalline deoxofluorinating reagents.

  Organic letters 20091105

• 3,3,12,12-Tetra-methyl-1,5,10,14-tetra-oxa-dispiro-[5.2.5.2]hexa-deca-ne.

  Acta crystallographica. Section E, Structure reports online 20090701

• Intramolecular valence and spin interaction in meso and rac diastereomers of a p-quinonoid-bridged diruthenium complex.

  Journal of the American Chemical Society 20081224

• 1,2,5,10,11,14-hexaoxadispiro[5.2.5.2]hexadecanes: novel spirofused bis-trioxane peroxides.

  Molecules (Basel, Switzerland) 20080819

• Tailor-made force fields for crystal-structure prediction.

  The journal of physical chemistry. B 20080814

• Breakup of propagating waves through the development of a transient unexcitable regime.

  Physical review. E, Statistical, nonlinear, and soft matter physics 20080701

• Synthesis of bicyclo[3.1.0]hexane derivatives as conformationally restricted analogues of beta-arabinofuranosyl and alpha-galactofuranosyl rings.

  Organic letters 20080306

• Oligospiroketals as novel molecular rods.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20070101

• Prooxidant action of rhodizonic acid: transition metal-dependent generation of reactive oxygen species causing the formation of 8-hydroxy-2'-deoxyguanosine formation in DNA.

  Toxicology in vitro : an international journal published in association with BIBRA 20060901

• Propagation failures, breathing pulses, and backfiring in an excitable reaction-diffusion system.

  Chaos (Woodbury, N.Y.) 20060901

• Gas-phase structures, rotational barriers, and conformational properties of hydroxyl and mercapto derivatives of cyclohexa-2,5-dienone and cyclohexa-2,5-dienthione.

  The journal of physical chemistry. A 20060720

• Collective reaction behavior of an oscillating system coupled with an excitable reaction.

  The Journal of chemical physics 20060621

• Syntheses of tetrahydrofurobenzofurans and dihydromethanobenzodioxepines from 5-hydroxy-3-methyl-3H-benzofuran-2-one. Rearrangement and ring expansion under reductive conditions on treatment with hydrides.

  The Journal of organic chemistry 20050805

• Complex behavior in coupled bromate oscillators.

  The journal of physical chemistry. A 20050505

• Stirring-controlled bifurcations in the 1,4-cyclohexanedione-bromate reaction.

  The journal of physical chemistry. A 20050428

• Novel A-ring analogs of the hormone 1alpha,25-dihydroxyvitamin D3: synthesis and preliminary biological evaluation.

  Bioorganic & medicinal chemistry 20050415

• High sensitivity 1H-NMR spectroscopy of homeopathic remedies made in water.

  BMC complementary and alternative medicine 20040101

• [Condensation of dihydro-1,4-benzoquinone derivatives with 1,2-arylenediamines].

  Die Pharmazie 20010201

• Effect of gravity field on the nonequilibrium/nonlinear chemical oscillation reactions.

  Advances in space research : the official journal of the Committee on Space Research (COSPAR) 20010101

• 2-Aminobenzoyl-CoA monooxygenase/reductase, a novel type of flavoenzyme. Identification of the reaction products.

  European journal of biochemistry 19900731