1-Acetyl-1-cyclohexene

Base Information

• Chemical Name: 1-Acetyl-1-cyclohexene
• CAS No.: 932-66-1
• Molecular Formula: C8H12 O
• Molecular Weight: 124.183
• Hs Code.: 29142990
• European Community (EC) Number: 213-256-5
• NSC Number: 12216
• UNII: 7539U6WQBL
• DSSTox Substance ID: DTXSID50862478
• Nikkaji Number: J80.022H
• Wikidata: Q27266337
• Mol file: 932-66-1.mol

Synonyms:1-Acetyl-1-cyclohexene;932-66-1;1-Acetylcyclohexene;1-(cyclohex-1-en-1-yl)ethanone;1-(cyclohexen-1-yl)ethanone;Ethanone, 1-(1-cyclohexen-1-yl)-;Ketone, 1-cyclohexen-1-yl methyl;Methyl 1-cyclohexenyl ketone;1-Cyclohexen-1-yl methyl ketone;Cyclohex-1-enylmethylketone;1-(cyclohex-1-en-1-yl)ethan-1-one;1-(1-CYCLOHEXEN-1-YL)ETHANONE;1-cyclohex-1-enyl-ethanone;UNII-7539U6WQBL;1-(1-cyclohexenyl)-ethanone;7539U6WQBL;Ethanone, 1-(cyclohexen-1-yl)-;EINECS 213-256-5;NSC-12216;88449-93-8;cyclohexenyl-ethanone;1-acetyl-cyclohexene;1-cyclohexenylethanone;1-acetyl1-cyclohexene;1-cyclohexenyl methyl ketone;SCHEMBL310711;ghl.PD_Mitscher_leg0.1062;1-cyclohex-1-en-1-ylethanone;1-Acetyl-1-cyclohexene, 97%;DTXSID50862478;1-CYCLOHEXEN-1-YLETHANONE;1-(1-Cyclohexen-1-yl)ethanone #;NSC12216;MFCD00001547;NSC 12216;AKOS009158669;BS-51056;CS-0155078;FT-0633134;E76703;EN300-108706;A844491;Q27266337

Chemical Property of 1-Acetyl-1-cyclohexene

Chemical Property:

• Vapor Pressure: 0.304mmHg at 25°C
• Melting Point: 73 °C
• Refractive Index: n20/D 1.49(lit.)
• Boiling Point: 201-202 °C(lit.)
• Flash Point: 73.2°C
• PSA: 17.07000
• Density: 0.962g/cm³
• LogP: 2.07580
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 124.088815002
• Heavy Atom Count: 9
• Complexity: 145

Purity/Quality:

97% ^*data from raw suppliers

1-Acetyl-1-cyclohexene 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatic Ketones, Other
• Canonical SMILES: CC(=O)C1=CCCCC1

Technology Process of 1-Acetyl-1-cyclohexene

There total 116 articles about 1-Acetyl-1-cyclohexene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

1-Ethynylcyclohexan-1-ol (78-27-3) → 1-cyclohexenyl methyl ketone (932-66-1)

Guidance literature:

With NH₄NO₃-exchanged zeolite HSZ-320; In chlorobenzene; at 130 ℃; for 4h;

DOI:10.1016/0040-4020(96)00382-1

Reference yield: 100.0%

(Z)-cyclooct-2-enone (23202-10-0) → 1-cyclohexenyl methyl ketone (932-66-1)

Guidance literature:

With Wilkinson's catalyst; cyclohexylamine; benzoic acid; In toluene; at 130 ℃; for 1h;

DOI:10.1021/ol025816e

Reference yield: 95.0%

(RS)-{1-[(1S)-isoborneol-10-sulfinyl]vinyl}cyclohexene (143771-14-6) → 1-cyclohexenyl methyl ketone (932-66-1)

Guidance literature:

With trimethylsilyl iodide; In chloroform; at 20 ℃; for 5h;

DOI:10.1016/S0040-4020(02)01365-0

upstream raw materials:

pyridine

1-(1-chloro-cyclohexyl)-ethanone oxime

1-ethenylcyclohexene

diethyl ether

Downstream raw materials:

1-cyclohex-1-enyl-1-[2]pyridyl-ethanol

(2-acetyl-cyclohexyl)-phenyl-acetonitrile

(E)-1-(cyclohex-1-enyl)-3-phenylprop-2-en-1-one

1-cyclohex-1-enyl-ethanone-(2,4-dinitro-phenylhydrazone)

Refernces

3-Alkenyl-5-ferrocenyl-2-pyrazolines in reactions with azodicarboxylic acid N-phenylimide

10.1007/BF02494717

The research focuses on the chemical reactions of 3-alkenyl-5-ferrocenyl-2-pyrazolines with azodicarboxylic acid N-phenylimide. The study explores the [4+2]-cycloaddition mechanism to form Diels-Alder adducts and the monoene addition products when allylic hydrogen atoms are present. The reactants include 1-acetyl-3-(2-ferrocenylethenyl)-5-ferrocenyl-2-pyrazoline and azodicarboxylic acid N-phenylimide, with the synthesis of pyrazolines derived from ferrocenecarbaldehyde and acetone or 1-acetylcyclohexene. The analysis of the products involved elemental analysis, melting point determination, and NMR spectroscopy, including both proton (1H) and carbon (13C) NMR spectra, to establish the structures and confirm the presence of specific functional groups and the configuration of the molecules. The study aims to understand the chemical and pharmacological properties of these organic compounds, which are expected to exhibit enhanced biological activity and reduced toxicity due to the presence of ferrocene substituents.

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