Ethyl 2-phenylpropionate

Base Information

• Chemical Name: Ethyl 2-phenylpropionate
• CAS No.: 2510-99-8
• Deprecated CAS: 113085-12-4
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• Hs Code.: 2916399090
• European Community (EC) Number: 219-727-1
• NSC Number: 254979
• DSSTox Substance ID: DTXSID30862976
• Nikkaji Number: J184.051G
• Wikidata: Q72476728
• ChEMBL ID: CHEMBL165835
• Mol file: 2510-99-8.mol

Synonyms:Ethyl 2-phenylpropionate;Ethyl 2-phenylpropanoate;2510-99-8;Ethyl hydratropate;2-phenylpropionic acid ethyl ester;Ethyl hydrotropate;Hydratropic acid, ethyl ester;Benzeneacetic acid, alpha-methyl-, ethyl ester;113085-12-4;Benzeneacetic acid, .alpha.-methyl-, ethyl ester;2-Phenyl-propionic acid ethyl ester;EINECS 219-727-1;NSC 254979;(R)-2-PHENYLPROPIONATE ETHYL;ethyl phenylpropionate;ethyl 2-phenyl-propionate;SCHEMBL304815;CHEMBL165835;phenyl propionic acid ethyl ester;phenyl-propionic acid ethyl ester;DTXSID30862976;(+/-)-Ethyl 2-phenylpropionate;MFCD00795471;NSC254979;a-Methylbenzeneacetic acid ethyl ester;AKOS015909987;NSC-254979;PS-3159;Benzeneacetic acid,a-methyl-,ethyl ester;AM20040017;CS-0151890;FT-0626192;FT-0693290;F13478;ethyl 2-phenylpropanoate;A817649;J-520788

Chemical Property of Ethyl 2-phenylpropionate

Chemical Property:

• Boiling Point: 232.2 °C at 760 mmHg
• Flash Point: 93.6 °C
• PSA: 26.30000
• Density: 1.012 g/cm³
• LogP: 2.35320
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Sparingly, Heated, Sonicated), Ethyl Acetate (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

2-PhenylpropionicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)C1=CC=CC=C1
• Uses: 2-Phenylpropionic Acid Ethyl Ester (cas# 2510-99-8) is a compound useful in organic synthesis.

Technology Process of Ethyl 2-phenylpropionate

There total 93 articles about Ethyl 2-phenylpropionate 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%

hydratropic acid (492-37-5,2328-24-7) + Diethyl carbonate (105-58-8,76619-83-5) → ethyl 2-phenylpropanoate (2510-99-8)

Guidance literature:

With Novozym 435; acylase I from Aspergillus melleus; amano lipase AK from pseudomonas fluorescens; lipase from wheat germ; papaine; In toluene; at 40 ℃; for 48h; Mechanism; Enzymatic reaction;

DOI:10.1016/j.molcatb.2014.02.020

Reference yield: 98.0%

ethanol (64-17-5) + hydratropic acid (492-37-5,2328-24-7) → ethyl 2-phenylpropanoate (2510-99-8)

Guidance literature:

With toluene-4-sulfonic acid; for 12h; Heating;

DOI:10.1002/jlcr.1105

Reference yield: 98.0%

2-phenyl-acrylic acid ethyl ester (22286-82-4) → ethyl 2-phenylpropanoate (2510-99-8)

Guidance literature:

With formic acid; triethylamine; N-tosylethylenediamine; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; In dichloromethane; at 30 ℃; for 5h;

DOI:10.1021/jo0478205

upstream raw materials:

ethanol

hydratropic acid

2-Phenylpropanal

O-Benzoyl-atrolactinsaeure-ethylester

Downstream raw materials:

2-(4-methoxyphenyl)-6-phenyl-4H-pyran-4-one

5-(4-methoxyphenyl)-1-phenylpent-1-yne-3,5-dione

(Z)-ethyl cinnamate

1,1,2-triphenylprop-1-ene

Refernces

• 1、 -. "Method for synthesizing P-bromomethyl isobenzopropionic acid". Paragraph 0026-0028. . Retrieved 2021/10/27.
• 2、 Yang, Jianping,Massaro, Luca,Krajangsri, Suppachai,Singh, Thishana,Su, Hao,Silvi, Emanuele,Ponra, Sudipta,Eriksson, Lars,Ahlquist, M?rten S. G.,Andersson, Pher G.. "Combined Theoretical and Experimental Studies Unravel Multiple Pathways to Convergent Asymmetric Hydrogenation of Enamides". supporting information. p. 21594 - 21603. Retrieved 2021/12/27.