Ethyl 3-phenylheptanoate

Base Information

• Chemical Name: Ethyl 3-phenylheptanoate
• CAS No.: 63473-85-8
• Molecular Formula: C15H22O2
• Molecular Weight: 234.338
• European Community (EC) Number: 665-858-6
• Mol file: 63473-85-8.mol

Synonyms:Ethyl 3-phenylheptanoate;63473-85-8;Ethyl3-phenylheptanoate;AKOS024323939

Chemical Property of Ethyl 3-phenylheptanoate

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 234.161979940
• Heavy Atom Count: 17
• Complexity: 207

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(CC(=O)OCC)C1=CC=CC=C1

Technology Process of Ethyl 3-phenylheptanoate

There total 9 articles about Ethyl 3-phenylheptanoate 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%

(E)-ethyl 3-phenylhept-2-enoate → ethyl 3-phenylheptanoate (63473-85-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 16h; under 2250.23 - 3000.3 Torr; Inert atmosphere;

DOI:10.1039/c4cc05923a

Reference yield: 90.0%

BuMnCl (88626-90-8) + ethyl cinnamate (4192-77-2) → ethyl 3-phenylheptanoate (63473-85-8)

Guidance literature:

With chloro-trimethyl-silane; copper(l) chloride; In tetrahydrofuran; 0 to 20 deg C, 0.5-1.5 h;

DOI:10.1016/S0040-4039(00)88505-6

Reference yield: 88.0%

butyl magnesium bromide (693-04-9) + ethyl cinnamate (4192-77-2) → ethyl 3-phenylheptanoate (63473-85-8)

Guidance literature:

With chloro-trimethyl-silane; copper(l) chloride; In tetrahydrofuran; Ambient temperature; 0.5-1.5 h;

DOI:10.1016/S0040-4039(00)88506-8

upstream raw materials:

n-butyl magnesium bromide

(E)-3-phenylacrylic acid

ethanol

acide 3-phenyl-heptanoique

Downstream raw materials:

3-Phenyl-1-heptanol

acide 3-phenyl-heptanoique

3-Phenylheptanoyl chloride