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:

98%,99%, ^*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

1-cyclohex-1-enyl-1-phenyl-3-pyrrolidino-propan-1-ol

1-cyclohex-1-enyl-3-dimethylamino-1-phenyl-propan-1-ol

Refernces

• 1、 Royals,Hendry. "-". . p. 1147,1153. Retrieved 1950.
• 2、 Ríos-Lombardía, Nicolás,Cicco, Luciana,Yamamoto, Kota,Hernández-Fernández, José A.,Morís, Francisco,Capriati, Vito,García-álvarez, Joaquín,González-Sabín, Javier. "Deep eutectic solvent-catalyzed Meyer-Schuster rearrangement of propargylic alcohols under mild and bench reaction conditions". supporting information. p. 15165 - 15168. Retrieved 2020/12/21.
• 3、 Nie, Biao,Wu, Wanqing,Ren, Qingyun,Wang, Zhongqing,Zhang, Ji,Zhang, Yingjun,Jiang, Huanfeng. "Access to Cycloalkeno[ c]-Fused Pyridines via Pd-Catalyzed C(sp2)-H Activation and Cyclization of N-Acetyl Hydrazones of Acylcycloalkenes with Vinyl Azides". supporting information. p. 7786 - 7790. Retrieved 2020/11/02.