3-Biphenyl-4-YL-propionic acid ethyl ester

Base Information

• Chemical Name: 3-Biphenyl-4-YL-propionic acid ethyl ester
• CAS No.: 40796-00-7
• Molecular Formula: C₁₇H₁₈O₂
• Molecular Weight: 254.329
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID50603661
• Wikidata: Q82501133
• Mol file: 40796-00-7.mol

Synonyms:40796-00-7;3-BIPHENYL-4-YL-PROPIONIC ACID ETHYL ESTER;SCHEMBL2772418;DTXSID50603661;AKOS015149881;Ethyl 3-([1,1'-biphenyl]-4-yl)propanoate

Chemical Property of 3-Biphenyl-4-YL-propionic acid ethyl ester

Chemical Property:

• Vapor Pressure: 9.07E-06mmHg at 25°C
• Boiling Point: 373.3°C at 760 mmHg
• Flash Point: 144.3°C
• PSA: 26.30000
• Density: 1.057g/cm³
• LogP: 3.84930
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 254.130679813
• Heavy Atom Count: 19
• Complexity: 260

Purity/Quality:

97% ^*data from raw suppliers

3-BIPHENYL-4-YL-PROPIONIC ACID ETHYL ESTER 95.00% ^*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)C2=CC=CC=C2

Technology Process of 3-Biphenyl-4-YL-propionic acid ethyl ester

There total 8 articles about 3-Biphenyl-4-YL-propionic acid ethyl 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: 99.0%

ethyl 3-([1,1′-biphenyl]-4-yl)acrylate (40795-99-1) → ethyl 3-([1,1′-biphenyl]-4-yl)propanoate (40796-00-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In water; ethyl acetate; at 20 ℃; for 4h;

DOI:10.1021/acschemneuro.6b00018

Reference yield: 90.0%

3-biphenyl-4-yl-acrylic acid ethyl ester (81069-41-2) → ethyl 3-([1,1′-biphenyl]-4-yl)propanoate (40796-00-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 25 ℃;

DOI:10.1021/jm061414r

Reference yield: 90.0%

→ ethyl 3-([1,1′-biphenyl]-4-yl)propanoate (40796-00-7)

Guidance literature:

upstream raw materials:

ethyl 3-([1,1′-biphenyl]-4-yl)acrylate

acrylaldehyde diethyl acetal

4-bromo-1,1'-biphenyl

3-biphenyl-4-yl-acrylic acid ethyl ester

Downstream raw materials:

3-(4'-{6-[4'-(2-Ethoxycarbonyl-ethyl)-biphenyl-4-yl]-6-oxo-hexanoyl}-biphenyl-4-yl)-propionic acid ethyl ester

3-(4-biphenylyl)propionic acid

3-(4'-{6-[4'-(2-Ethoxycarbonyl-ethyl)-biphenyl-4-yl]-hexyl}-biphenyl-4-yl)-propionic acid ethyl ester

3-([1,1′-biphenyl]-4-yl)propanal

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