Ethyl 3-phenyl-3-butenoate

Base Information

• Chemical Name: Ethyl 3-phenyl-3-butenoate
• CAS No.: 5633-64-7
• Molecular Formula: C12H14O2
• Molecular Weight: 190.242
• DSSTox Substance ID: DTXSID101296055
• Nikkaji Number: J565.195F
• Mol file: 5633-64-7.mol

Synonyms:5633-64-7;3-phenyl-but-3-enoic acid ethyl ester;ethyl 3-phenyl-3-butenoate;ethyl3-phenylbut-3-enoate;ethyl 3-phenylbut-3-enoate;SCHEMBL8998072;DTXSID101296055;Ethyl beta-methylenebenzenepropanoate

Chemical Property of Ethyl 3-phenyl-3-butenoate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 3-phenyl-3-butenoate

There total 20 articles about Ethyl 3-phenyl-3-butenoate 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: 96.0%

ethanol (64-17-5) + 3-phenylbut-3-enoic acid (5155-87-3) → ethyl 3-phenyl-3-butenoate (5633-64-7)

Guidance literature:

With methanesulfonic acid; at 70 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ol5022433

Reference yield: 95.0%

ethyl 3-hydroxy-3-phenyl-4-trimethylsilylbutanoate (136578-45-5) → ethyl 3-phenyl-3-butenoate (5633-64-7)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; for 0.5h; Ambient temperature;

DOI:10.1016/0022-328X(91)86327-M

Reference yield: 90.0%

ethanol (64-17-5) + 3-phenylbut-3-enal → ethyl 3-phenyl-3-butenoate (5633-64-7)

Guidance literature:

With dihydrogen peroxide; at 20 ℃; for 20h;

DOI:10.1016/j.catcom.2014.09.022

upstream raw materials:

ethyl 3-phenylbut-2-enoate

carbon monoxide

Ethyl 2-Phenyl-2-propenyl carbonate

ethyl 3-hydroxy-3-phenyl-4-trimethylsilylbutanoate

Downstream raw materials:

3-phenylbut-3-enoic acid

ethyl (1R,2S)-2-(2-ethoxy-2-oxoethyl)-2-phenylcyclopropanecarboxylate