Ethyl 3-(3,4-difluorophenyl)propanoate

Base Information

• Chemical Name: Ethyl 3-(3,4-difluorophenyl)propanoate
• CAS No.: 803687-25-4
• Molecular Formula: C11H12 F2 O2
• Molecular Weight: 214.212
• DSSTox Substance ID: DTXSID70465086
• Wikidata: Q82290774
• Mol file: 803687-25-4.mol

Synonyms:Ethyl 3-(3,4-difluorophenyl)propanoate;803687-25-4;3-(3,4-Difluoro-phenyl)-propionic acid ethyl ester;SCHEMBL6913578;DTXSID70465086;VZNNAPGMYXZLCH-UHFFFAOYSA-N;MFCD09028805;AKOS009290861;Ethyl3-(3,4-difluorophenyl)propanoate;CS-0319402;3-(3,4-Difluorophenyl)propionic acid, ethyl ester

Chemical Property of Ethyl 3-(3,4-difluorophenyl)propanoate

Chemical Property:

• Vapor Pressure: 0.0203mmHg at 25°C
• Refractive Index: 1.472
• Boiling Point: 251.5°C at 760 mmHg
• Flash Point: 102.9°C
• PSA: 26.30000
• Density: 1.166g/cm³
• LogP: 2.46050
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 214.08053595
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-(3,4-Difluorophenyl)propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC1=CC(=C(C=C1)F)F

Technology Process of Ethyl 3-(3,4-difluorophenyl)propanoate

There total 5 articles about Ethyl 3-(3,4-difluorophenyl)propanoate 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: 95.0%

ethyl 3-(3,4-difluorophenyl)acrylate (375368-92-6) → ethyl 3-(3,4-difluorophenyl)propanoate (803687-25-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; at 20 ℃; for 3h;

DOI:10.1002/cmdc.201600343

Reference yield: 10.0%

→ ethyl 3-(3,4-difluorophenyl)propanoate (803687-25-4)

Guidance literature:

Reference yield:

acetyl chloride (75-36-5) + 3-(3,4-difluorophenyl)-propanoic acid (161712-75-0) → ethyl 3-(3,4-difluorophenyl)propanoate (803687-25-4)

Guidance literature:

In ethanol; at 20 ℃; for 2h;

upstream raw materials:

ethyl 3-(3,4-difluorophenyl)acrylate

3-(3,4-difluorophenyl)-2-propenoic acid

acetyl chloride

3-(3,4-difluorophenyl)-propanoic acid

Downstream raw materials:

5-(3,4-Difluoro-benzyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

5,6-difluoroindan-1-one

3-(3,4-difluorophenyl)-propanoic acid

3-(3,4-difluorophenyl)propanoyl chloride