Ethyl 3-cyclohexylpropanoate

Base Information

• Chemical Name: Ethyl 3-cyclohexylpropanoate
• CAS No.: 10094-36-7
• Molecular Formula: C11H20 O2
• Molecular Weight: 184.279
• Hs Code.: 2916209090
• European Community (EC) Number: 233-222-3
• NSC Number: 71463
• UNII: TP836Y7R61
• DSSTox Substance ID: DTXSID00143587
• Nikkaji Number: J160.454F
• Wikidata: Q27290107
• Metabolomics Workbench ID: 44861
• Mol file: 10094-36-7.mol

Synonyms:Ethyl 3-cyclohexylpropanoate;10094-36-7;Ethyl cyclohexanepropionate;Ethyl 3-cyclohexylpropionate;Cyclohexanepropanoic acid, ethyl ester;ETHYL CYCLOHEXANE PROPIONATE;Cyclohexanepropionic acid, ethyl ester;Ethyl cyclohexanepropanoate;Ethyl3-cyclohexylpropanoate;Ethyl hexahydrophenylpropionate;Ethyl cyclohexylpropionate;FEMA No. 2431;NSC-71463;UNII-TP836Y7R61;TP836Y7R61;EINECS 233-222-3;NSC 71463;3-cyclohexyl-propionic acid ethyl ester;AI3-13192;Ethyl cyclohexylpropanoate;Ethyl 3-cyclohexylpropanoate #;SCHEMBL1172293;FEMA 2431;DTXSID00143587;CHEBI:171838;NSC71463;Ethyl cyclohexanepropionate, >=99%;LMFA07010862;MFCD00001526;AKOS008948366;ETHYL CYCLOHEXANE PROPIONATE [FHFI];CS-0335733;FT-0722457;Cyclohexanepropanoic acid, ethyl ester (9CI);Cyclohexanepropionic acid, ethyl ester (8CI);Q27290107

Chemical Property of Ethyl 3-cyclohexylpropanoate

Chemical Property:

• Vapor Pressure: 0.106mmHg at 25°C
• Refractive Index: n20/D 1.448(lit.)
• Boiling Point: 221.7°Cat760mmHg
• Flash Point: 89.6°C
• PSA: 26.30000
• Density: 0.935g/cm³
• LogP: 2.91000
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 148

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl 3-cyclohexylpropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:
• Hazard Codes: R10:
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)CCC1CCCCC1

Technology Process of Ethyl 3-cyclohexylpropanoate

There total 28 articles about Ethyl 3-cyclohexylpropanoate 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: 99.0%

ethyl bromoacetate (105-36-2) + methylenecyclohexane (1192-37-6) → ethyl 3-cyclohexylpropanoate (10094-36-7)

Guidance literature:

In hexane; water; for 6h; Irradiation;

DOI:10.1021/ol4011536

Reference yield: 96.0%

(E)-3-cyclohexyl-acrylic acid ethyl ester (17343-88-3) → ethyl 3-cyclohexylpropanoate (10094-36-7)

Guidance literature:

With diisobutylaluminium hydride; cobalt acetylacetonate; In tetrahydrofuran; hexane; at -78 - 0 ℃; for 2h;

Reference yield: 95.0%

Cyclohexyl iodide (626-62-0) + ethyl acrylate (140-88-5,9003-32-1) → ethyl 3-cyclohexylpropanoate (10094-36-7)

Guidance literature:

With borohydride exchange resin; nickel diacetate; In methanol; at 20 ℃; for 3h;

DOI:10.1016/0040-4039(96)00510-2

upstream raw materials:

ethyl dihydrocinnamate

coumarin

ethyl 3-oxo-3-phenylpropionate

ethyl cinnamate

Downstream raw materials:

3-cyclohexylpropan-1-ol

β-Cyclohexylpropionic acid hydrazide

4-<2-Cyclohexyl-aethyl>-1,7-diphenyl-heptan-4-ol

dimethyl 4-cyclohexyl-2-oxo-butylphosphonate

Refernces

• 1、 Lee, Shih-Yuan Adam,Yang, Hui-Chun,Su, Feng-Yih. "An unprecedented and highly chemoselective esterification method". . p. 301 - 303. Retrieved 2001.
• 2、 Sumino, Shuhei,Fusano, Akira,Ryu, Ilhyong. "Reductive bromine atom-transfer reaction". . p. 2826 - 2829. Retrieved 2013.
• 3、 Fischli,A.,Suess,D.. "-". . p. 48 - 58. Retrieved 1979.
• 4、 Treacy, Sean M.,Rovis, Tomislav. "Copper catalyzed C(sp3)-H bond alkylation via photoinduced ligand-to-metal charge transfer". supporting information. p. 2729 - 2735. Retrieved 2021/03/01.
• 5、 Zhang, Xiaofeng,Jiang, Runze,Cheng, Xu. "Electrochemical Tandem Olefination and Hydrogenation Reaction with Ammonia". supporting information. p. 16016 - 16025. Retrieved 2021/08/24.