2-Acetylcyclohexanone - CAS 874-23-7
Catalog: |
BB038438 |
Product Name: |
2-Acetylcyclohexanone |
CAS: |
874-23-7 |
Synonyms: |
Cyclohexanone, 2-acetyl-; 2-Acetyl-1-cyclohexanone; NSC 7713; α-Acetylcyclohexanone |
Related CAS: | 125117-37-5 (Deleted CAS)
|
IUPAC Name: | 2-acetylcyclohexan-1-one |
Description: | 2-Acetylcyclohexanone (CAS# 874-23-7) is used in the synthesis of 1-(pyridyl)ethanol derivatives that can reduce keto-esters and ketones. Also used in the synthesis of phenothiazine derivatives that can inhibit protein farnesyltransferase molecules and some that show anti-proliferative activity. |
Molecular Weight: | 140.18 |
Molecular Formula: | C8H12O2 |
Canonical SMILES: | CC(=O)C1CCCCC1=O |
InChI: | InChI=1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3 |
InChI Key: | OEKATORRSPXJHE-UHFFFAOYSA-N |
Boiling Point: | 111-112°C |
Melting Point: | 112-116°C |
Purity: | ≥95% |
Density: | 1.075 g/cm3 |
Solubility: | Soluble in Chloroform, Ethyl Acetate |
Appearance: | Clear colorless to light yellow liquid |
Storage: | Store at -20°C |
MDL: | MFCD00001633 |
LogP: | 1.33470 |
Publication Number | Title | Priority Date |
CN-113292535-A | Method for preparing apaluamide intermediate and apaluamide | 20210618 |
CN-112876507-A | Trisubstituted olefin tertiary phosphine compound and preparation method thereof | 20210331 |
CN-113045494-A | Pyridone derivative and application thereof in preparation of drugs for preventing and/or treating tuberculosis caused by mycobacterium tuberculosis | 20210329 |
RU-2755349-C1 | Application of benzyl 6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}thio)-2-methyl-4-(4-chlorophenyl)-5-cyano-1,4-dihydropyridine-3-carboxylate as hepatoprotective agent | 20210216 |
CN-112645880-A | Synthetic method of enzalutamide | 20201229 |
PMID | Publication Date | Title | Journal |
21997384 | 20120301 | Allergic contact dermatitis: epidemiology, molecular mechanisms, in vitro methods and regulatory aspects. Current knowledge assembled at an international workshop at BfR, Germany | Cellular and molecular life sciences : CMLS |
21302930 | 20110310 | 8-Azatetracyclines: synthesis and evaluation of a novel class of tetracycline antibacterial agents | Journal of medicinal chemistry |
20165802 | 20100307 | Copper-catalyzed amination of (bromophenyl)ethanolamine for a concise synthesis of aniline-containing analogues of NMDA NR2B antagonist ifenprodil | Organic & biomolecular chemistry |
12662038 | 20030404 | Tautomerization of 2-acetylcyclohexanone. 1. Characterization of keto-enol/enolate equilibria and reaction rates in water | The Journal of organic chemistry |
12662039 | 20030404 | Nitrosation of 2-acetylcyclohexanone. 2. Reaction in water in the absence and presence of cyclodextrins | The Journal of organic chemistry |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.083729621 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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