2-Phenylethyl phenoxyacetate

Base Information

• Chemical Name: 2-Phenylethyl phenoxyacetate
• CAS No.: 5456-33-7
• Molecular Formula: C16H16 O3
• Molecular Weight: 256.301
• Hs Code.: 2918990090
• European Community (EC) Number: 226-714-4
• NSC Number: 6678
• DSSTox Substance ID: DTXSID60202982
• Nikkaji Number: J210.511J
• Wikidata: Q83076346
• Mol file: 5456-33-7.mol

Synonyms:2-Phenylethyl phenoxyacetate;5456-33-7;EINECS 226-714-4;AI3-22348;SCHEMBL11045233;DTXSID60202982;NSC6678;NSC 6678;NSC-6678;Phenoxyacetic acid 2-phenylethyl ester;Acetic acid, phenoxy-, 2-phenylethyl ester

Chemical Property of 2-Phenylethyl phenoxyacetate

Chemical Property:

• Vapor Pressure: 5.82E-06mmHg at 25°C
• Boiling Point: 379.5°Cat760mmHg
• Flash Point: 159.5°C
• PSA: 35.53000
• Density: 1.128g/cm³
• LogP: 2.85130
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 256.109944368
• Heavy Atom Count: 19
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCOC(=O)COC2=CC=CC=C2

Technology Process of 2-Phenylethyl phenoxyacetate

There total 3 articles about 2-Phenylethyl phenoxyacetate 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: 78.0%

2-phenylethanol (60-12-8) + 2-phenoxyacetic acid (122-59-8) → phenethyl 2-phenoxyacetate (5456-33-7)

Guidance literature:

With triphenylphosphine; benzyl azide; In neat (no solvent); at 140 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1080/00397911.2016.1211705

Reference yield: 78.0%

C14H10N4O5 → phenethyl 2-phenoxyacetate (5456-33-7)

Guidance literature:

In tetrahydrofuran; for 8h; Ambient temperature;

DOI:10.1039/c39880000042

Reference yield:

2-phenylethanol (60-12-8) + C26H22O3P(1+)*ClO4(1-) → phenethyl 2-phenoxyacetate (5456-33-7)

Guidance literature:

With triethylamine; In dichloromethane; for 0.5h; Yield given; Ambient temperature;

DOI:10.1016/S0040-4020(01)87066-6

upstream raw materials:

2-phenylethanol

2-phenoxyacetic acid

Refernces

• 1、 Dinesh, Murugan,Archana, Sivasubramaniyan,Ranganathan, Raja,Sathishkumar, Murugan,Ponnuswamy, Alagusundaram. "Bis azide-triphenylphosphine as a reagent for esterification at room temperature". supporting information. p. 6975 - 6979. Retrieved 2015/11/27.
• 2、 Okawara, Tadashi,Ikeda, Norihiro,Yamasaki, Tetsuo,Furukawa, Mitsuru. "Unusual Reaction of 6-Nitrobenzotriazolyl Carboxylates with Grignard Reagents". . p. 42 - 43. Retrieved 2007/10/02.