Pentanoic acid, 2-(phenylethenylidene)-, ethyl ester

Base Information

• Chemical Name: Pentanoic acid, 2-(phenylethenylidene)-, ethyl ester
• CAS No.: 894855-52-8
• Molecular Formula: C15H18O2
• Molecular Weight: 230.307
• DSSTox Substance ID: DTXSID20467510
• Nikkaji Number: J2.236.035C

Synonyms:Pentanoic acid, 2-(phenylethenylidene)-, ethyl ester;894855-52-8;DTXSID20467510

Chemical Property of Pentanoic acid, 2-(phenylethenylidene)-, ethyl ester

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 230.130679813
• Heavy Atom Count: 17
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=C=CC1=CC=CC=C1)C(=O)OCC

Technology Process of Pentanoic acid, 2-(phenylethenylidene)-, ethyl ester

There total 2 articles about Pentanoic acid, 2-(phenylethenylidene)-, 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: 65.0%

phenylacetyl chloride (103-80-0) + (1-ethoxy-1-oxopentan-2-yl)triphenylphosphoniumbromide → ethyl 4-phenyl-2-(n-propyl)-2,3-butadienoate (894855-52-8)

Guidance literature:

(1-ethoxy-1-oxopentan-2-yl)triphenylphosphoniumbromide; With triethylamine; In dichloromethane; at 0 ℃; Inert atmosphere;

phenylacetyl chloride; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1002/adsc.200900091

Reference yield: 65.0%

2-(triphenylphosphoranylidene)pentanoic acid ethyl ester (5717-38-4) + phenylacetyl chloride (103-80-0) → ethyl 4-phenyl-2-(n-propyl)-2,3-butadienoate (894855-52-8)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1002/ejoc.200500296

Reference yield: 99.0%

Phenylselenyl chloride (5707-04-0) + ethyl 4-phenyl-2-(n-propyl)-2,3-butadienoate (894855-52-8) → 5-phenyl-4-phenylselanyl-3-(n-propyl)-5H-furan-2-one

Guidance literature:

With water; In acetonitrile; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2006.02.053

upstream raw materials:

2-(triphenylphosphoranylidene)pentanoic acid ethyl ester

phenylacetyl chloride

Downstream raw materials:

3-(n-propyl)-4-phenyl-2,3-butadienoic acid

ethyl 4-phenyl-3-(cyclohexyl)-2-propyl-3(Z)-butenoate

4-phenyl-3-methyl-3-deuterium-2-propyl-3(Z)-butenoate

ethyl 4-phenyl-3-methyl-2-propyl-3(Z)-butenoate

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