29941-82-0

Basic information

• Product Name: 2-ethoxycyclohex-2-en-1-one
• Synonyms: 2-ethoxycyclohex-2-en-1-one;2-Ethoxy-2-cyclohexen-1-one;2-Ethoxy-cyclohex-2-enone
• CAS NO: 29941-82-0
• Molecular Formula: C₈H₁₂O₂
• Molecular Weight: 140.17968
• EINECS: 249-966-7
• Mol File: 29941-82-0.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 246.4 °C at 760 mmHg
• Flash Point: 108.2 °C
• Appearance: /
• Density: 1 g/cm³
• Vapor Pressure: 0.0273mmHg at 25°C
• Refractive Index: 1.467
• CAS DataBase Reference: 2-ethoxycyclohex-2-en-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ethoxycyclohex-2-en-1-one(29941-82-0)
• EPA Substance Registry System: 2-ethoxycyclohex-2-en-1-one(29941-82-0)

Safety Data

• Hazardous Substances Data: 29941-82-0(Hazardous Substances Data)

Usage

General Description

2-Ethoxycyclohex-2-en-1-one is a chemical compound with the molecular formula C9H14O2. It is a cyclic ketone with an ethoxy group attached to the cyclohexenone ring. 2-ethoxycyclohex-2-en-1-one is commonly used in organic synthesis as a building block for the production of various pharmaceuticals and agrochemicals. It is also used in the fragrance and flavor industry, particularly in the production of perfumes and food additives. 2-Ethoxycyclohex-2-en-1-one has a sweet, floral odor and is often used as a fragrance ingredient in various consumer products. Additionally, this compound has been studied for its potential biological activities, including its antimicrobial and anti-inflammatory properties.

InChI:InChI=1/C8H12O2/c1-2-10-8-6-4-3-5-7(8)9/h6H,2-5H2,1H3

Upstream product

• 64-17-5 ethanol 
• 10316-66-2 2-hydroxy-2-cyclohexen-1-one 
• 108-94-1 cyclohexanone 
• 765-87-7 cyclohexane-1,2-dione 
• 21882-77-9 (2,2-diethoxyvinylidene)triphenylphosphorane 

Downstream Products

• 1105665-33-5 6-[1-dimethylamino-meth-(E)-ylidene]-2-ethoxy-cyclohex-2-enone 
• 802541-12-4 ethyl (3-ethoxy-2-oxocyclohex-3-en-1-yl)-(oxo)acetate 

Relevant articles and documents

Oxidative Alkoxylation/Dehydrogenation of Unactivated Cyclic Ketones with Simple Alcohols: Direct Route to α-Alkoxy Cycloenones

An oxidative functionalization of cyclopentanones or cyclohexanones with simple alcohols was first demonstrated, affording a series of 2-alkoxycyclopent-2-en-1-ones or 2-alkoxycyclohex-2-en-1-ones in moderate to excellent yields. The reaction was involved in tandem iodization, substitution, oxidation and addition-elimination processes in one pot. This method is highly atom-economical and operationally simple.

HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS

The present invention relates to compounds of Formula (I) or pharmaceutically acceptable salts or solvates thereof: It further discloses a pharmaceutical composition comprising the compounds of Formula (I) and their uses, in particular to modulate CFTR protein or ABC protein activities.

Identification of N,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl] amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide (PHA-848125), a potent, orally available cyclin dependent kinase inhibitor

The discovery of a novel class of inhibitors of cyclin dependent kinases (CDKs) is described. Starting from compound 1, showing good potency as inhibitor of CDKs but being poorly selective against a panel of serine-threonine and tyrosine kinases, new analogues were synthesized. Enhancement in selectivity, antiproliferative activity against A2780 human ovarian carcinoma cells, and optimization of the physical properties and pharmacokinetic profile led to the identification of highly potent and orally available compounds. Compound 28 (PHA-848125), which in the preclinical xenograft A2780 human ovarian carcinoma model showed good efficacy and was well tolerated upon repeated daily treatments, was identified as a drug candidate for further development. Compound 28 is currently undergoing phase I and phase II clinical trials.