Ethyl cyclohexylideneacetate

Base Information

• Chemical Name: Ethyl cyclohexylideneacetate
• CAS No.: 1552-92-7
• Molecular Formula: C10H16 O2
• Molecular Weight: 168.236
• Hs Code.: 2916209090
• European Community (EC) Number: 216-297-7
• NSC Number: 18981
• UNII: FEJ212C272
• DSSTox Substance ID: DTXSID10165856
• Nikkaji Number: J80.227A
• Mol file: 1552-92-7.mol

Synonyms:ethyl 2-cyclohexylideneacetate;1552-92-7;Ethyl cyclohexylideneacetate;ethyl 2-cyclohexylidenacetate;Cyclohexylideneacetic Acid Ethyl Ester;Acetic acid, cyclohexylidene-, ethyl ester;2-Cyclohexylidene-acetic Acid Ethyl Ester;Ethoxycarbonylmethylenecyclohexane;FEJ212C272;EINECS 216-297-7;NSC-18981;.DELTA.1,.alpha.-Cyclohexaneacetic acid, ethyl ester;Ethyl2-cyclohexylideneacetate;.DELTA.1, ethyl ester;Acetic acid, 2-cyclohexylidene-, ethyl ester;UNII-FEJ212C272;Cyclohexylideneacetic acid ethyl;SCHEMBL3812522;Cyclohexylidenessigsaureathylester;DTXSID10165856;AMY32168;BAA90323;NSC18981;MFCD00963857;NSC 18981;AKOS006228321;CS-0151873;FT-0633659;3P-100;EN300-209471;A809629;J-520750;Z848184086

Chemical Property of Ethyl cyclohexylideneacetate

Chemical Property:

• Vapor Pressure: 0.0488mmHg at 25°C
• Boiling Point: 235.9°Cat760mmHg
• Flash Point: 112.9°C
• PSA: 26.30000
• Density: 1.05g/cm³
• LogP: 2.44000
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Soluble in dichloromethane, ethyl acetate.
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

2-Cyclohexylidene-aceticAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=C1CCCCC1
• Uses: Ethyl cyclohexylideneacetate is used as pharmaceutical intermediates.

Technology Process of Ethyl cyclohexylideneacetate

There total 56 articles about Ethyl cyclohexylideneacetate 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%

diethoxyphosphoryl-acetic acid ethyl ester (867-13-0) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → ethyl cyclohexylideneacetate (1552-92-7)

Guidance literature:

diethoxyphosphoryl-acetic acid ethyl ester; With sodium hydride; In tetrahydrofuran; mineral oil; for 1h;

cyclohexanone; In tetrahydrofuran; mineral oil; for 18h;

DOI:10.1021/ja4047312

Reference yield: 98.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → ethyl cyclohexylideneacetate (1552-92-7)

Guidance literature:

With two carbon Wittig ylide; In toluene; at 120 ℃; for 24h;

Reference yield: 98.0%

diazoacetic acid ethyl ester (623-73-4) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → ethyl cyclohexylideneacetate (1552-92-7)

Guidance literature:

With Fe(TCP)Cl; polyethylene supported arsine; polymethylhydrosiloxane; In toluene; at 110 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c1cc16747b

upstream raw materials:

ethyl 2-(1-cyclohexenyl)acetate

sodium ethanolate

ethanol

cyclohexylideneacetic acid

Downstream raw materials:

1,1-cyclohexanediacetic acid

ethyl (1-butylcyclohexyl)acetate

Cyclohexyliden-bis-(2-methoxyphenyl)-carbinol

methyl 2-cyclohexylideneacetate

Refernces

• 1、 Niyazymbetov, M. E.,Petrosyan, V. A.,Keitel, I.,Costisella, B.,Schwarz, K. H.. "CATHODIC PROMOTION OF HORNER REACTION". . p. 3007 - 3008. Retrieved 1988.
• 2、 Katritzky,Katritzky, Alan R.,Ignatchenko,Ignatchenko, Alexey V.,Lan,Lan, Xiangfu,Lang,Lang, Hengyuan,Stevens,Stevens, Christian V.,Opitz,Opitz, Andreas,Koch,Koch, Rainer,Anders,Anders, Ernst. "Benzotriazole-assisted β-lithiation of vinyl ethers". . p. 6005 - 6016. Retrieved 1994.
• 3、 -. "HETEROCYCLIC COMPOUNDS AS INHIBITORS OF HPK1". Page/Page column 154-155. . Retrieved 2021/01/29.
• 4、 Chen, Xiaoyun,Hou, Hong,Shi, Yaocheng,Xu, Yue,Yan, Chaoguo,Yang, Haibo,Zhu, Shaoqun. "Visible-Light Mediated Hydrosilylative and Hydrophosphorylative Cyclizations of Enynes and Dienes". supporting information. . Retrieved 2020/03/04.