10-Undecenoic acid, 2-phenylethyl ester

Base Information

• Chemical Name: 10-Undecenoic acid, 2-phenylethyl ester
• CAS No.: 72727-63-0
• Molecular Formula: C₁₉H₂₈O₂
• Molecular Weight: 288.43
• European Community (EC) Number: 276-796-0
• DSSTox Substance ID: DTXSID8072586
• Nikkaji Number: J296.362K
• Wikidata: Q82000698
• Mol file: 72727-63-0.mol

Synonyms:Phenethyl undec-10-enoate;72727-63-0;10-Undecenoic acid, 2-phenylethyl ester;EINECS 276-796-0;SCHEMBL7961983;DTXSID8072586;undec-10-enoic acid phenethyl ester;AKOS024264041;10-Undecenoic acid 2-phenylethyl ester

Chemical Property of 10-Undecenoic acid, 2-phenylethyl ester

Chemical Property:

• Vapor Pressure: 4.02E-06mmHg at 25°C
• Boiling Point: 384.7°C at 760 mmHg
• Flash Point: 117.7°C
• PSA: 26.30000
• Density: 0.953g/cm³
• LogP: 5.07910
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 288.208930132
• Heavy Atom Count: 21
• Complexity: 267

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCCCCCCC(=O)OCCC1=CC=CC=C1

Technology Process of 10-Undecenoic acid, 2-phenylethyl ester

There total 2 articles about 10-Undecenoic acid, 2-phenylethyl ester 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: 98.0%

10-undecenoic acid (112-38-9) + 2-phenylethanol (60-12-8) → 10-undecenic acid 2-phenylethyl ester (72727-63-0)

Guidance literature:

With zirconocene bis(perfluorooctanesulfonate) trihydrate*(tetrahydrofuran); In neat (no solvent); at 0 ℃; chemoselective reaction; Sealed tube; Green chemistry;

DOI:10.1039/c7gc02174g

Reference yield: 83.0%

2-phenylethanol (60-12-8) + 10-undecenic acid 4-chlorophenyl ester (93738-25-1) → 10-undecenic acid 2-phenylethyl ester (72727-63-0)

Guidance literature:

With tetrabutylammonium tricarbonylnitrosylferrate; In hexane; at 20 - 80 ℃; Molecular sieve; Inert atmosphere;

DOI:10.1021/jo1004636

upstream raw materials:

10-undecenoic acid

2-phenylethanol

10-undecenic acid 4-chlorophenyl ester

Refernces

• 1、 Magens, Silja,Plietker, Bernd. "Nucleophilic iron catalysis in transesterifications: Scope and limitations". supporting information; experimental part. p. 3715 - 3721. Retrieved 2010/08/07.