Cyclohexyl phenylacetate

Base Information

• Chemical Name: Cyclohexyl phenylacetate
• CAS No.: 42288-75-5
• Molecular Formula: C14H18O2
• Molecular Weight: 218.296
• Hs Code.: 2916399090
• European Community (EC) Number: 255-751-9
• NSC Number: 406961,67365
• UNII: B7TH8BW2W5
• DSSTox Substance ID: DTXSID4068379
• Nikkaji Number: J278.379G
• Wikidata: Q81995099
• Mol file: 42288-75-5.mol

Synonyms:Cyclohexyl phenylacetate;42288-75-5;Benzeneacetic acid, cyclohexyl ester;cyclohexyl 2-phenylacetate;AI3-11578;EINECS 255-751-9;NSC-67365;NSC 406961;NSC-406961;B7TH8BW2W5;SCHEMBL1301606;DTXSID4068379;Benzeneacetic acid cyclohexyl ester;NSC67365;NSC406961;Acetic acid, phenyl-, cyclohexyl ester

Chemical Property of Cyclohexyl phenylacetate

Chemical Property:

• Vapor Pressure: 0.0005mmHg at 25°C
• Melting Point: 112 °C
• Refractive Index: 1.527
• Boiling Point: 313.3 °C at 760 mmHg
• Flash Point: 136.1 °C
• PSA: 26.30000
• Density: 1.05 g/cm³
• LogP: 3.10500
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 218.130679813
• Heavy Atom Count: 16
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

CYCLOHEXYL PHENYLACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)OC(=O)CC2=CC=CC=C2

Technology Process of Cyclohexyl phenylacetate

There total 15 articles about Cyclohexyl phenylacetate 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: 97.0%

phenylacetic acid (103-82-2) + cyclohexanol (108-93-0) → phenylacetic acid cyclohexyl ester (42288-75-5)

Guidance literature:

With glucose-diphenylaminium tosylate-derived carbon solid acid (GDTCSA); In n-heptane; at 80 ℃; for 7h;

DOI:10.1039/c4gc01395f

Reference yield: 94.0%

phenylacetic acid (103-82-2) + cyclohexene (110-83-8) → phenylacetic acid cyclohexyl ester (42288-75-5)

Guidance literature:

With Trifluoromethanesulfonyl fluoride; In toluene; at 50 ℃;

DOI:10.1021/ol0610035

Reference yield: 92.0%

benzeneacetic acid methyl ester (101-41-7) + cyclohexanol (108-93-0) → phenylacetic acid cyclohexyl ester (42288-75-5)

Guidance literature:

With SO₃H and NH₂⁺ functional carbon-based solid acid; at 120 ℃; for 11h;

DOI:10.1039/c5ra13839f

upstream raw materials:

cyclohexyl 2-phenylacetimidate hydrochloride

phenylacetic acid

cyclohexanol

1-bromocyclohexane

Downstream raw materials:

ethylbenzene

2-phenylethanol

2-phenyl-acrylic Acid Cyclohexyl Ester

cyclohexene

Refernces

• 1、 Li, Yang,Shi, Jiarong,Zhao, Jinlong. "Benzyne-Mediated Esterification Reaction". supporting information. p. 7274 - 7278. Retrieved 2021/10/01.
• 2、 Huang, Pei-Qiang,Geng, Hui. "Ni-Catalyzed chemoselective alcoholysis of: N -acyloxazolidinones". supporting information. p. 593 - 599. Retrieved 2018/02/14.