Ethyl 2-bromo-4-fluoro-3-(3-methoxyphenyl)but-2-enoate

Base Information

• Chemical Name: Ethyl 2-bromo-4-fluoro-3-(3-methoxyphenyl)but-2-enoate
• CAS No.: 85465-53-8
• Molecular Formula: C13H14BrFO3
• Molecular Weight: 317.155
• DSSTox Substance ID: DTXSID00709541

Synonyms:85465-53-8;Ethyl 2-bromo-4-fluoro-3-(3-methoxyphenyl)but-2-enoate;SCHEMBL10830053;DTXSID00709541;ethyl 2-bromo-3-(3'-methoxyphenyl)-4-fluoro-2-butenoate;OYVITEXMWXGKEH-UHFFFAOYSA-N

Chemical Property of Ethyl 2-bromo-4-fluoro-3-(3-methoxyphenyl)but-2-enoate

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 316.01104
• Heavy Atom Count: 18
• Complexity: 317

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-bromo-4-fluoro-3-(3-methoxyphenyl)but-2-enoate

There total 2 articles about Ethyl 2-bromo-4-fluoro-3-(3-methoxyphenyl)but-2-enoate 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:

petroleum + ethyl 2,3-dibromo-3-(3'-methoxyphenyl)-4-fluorobutyrate (85465-52-7) → ethyl 2-bromo-3-(3'-methoxyphenyl)-4-fluoro-2-butenoate (85465-53-8)

Guidance literature:

With NaH; In tetrahydrofuran; water;

Reference yield:

piperidine (110-89-4) + ethyl 2,3-dibromo-3-(3'-methoxyphenyl)-4-fluorobutyrate (85465-52-7) → ethyl 2-bromo-3-(3'-methoxyphenyl)-4-fluoro-2-butenoate (85465-53-8)

Guidance literature:

In water;

Reference yield: 78.0%

ethyl 2-bromo-3-(3'-methoxyphenyl)-4-fluoro-2-butenoate (85465-53-8) → (E)-2-Bromo-4-fluoro-3-(3-methoxy-phenyl)-but-2-enoic acid

Guidance literature:

With sodium hydroxide; water; In tetrahydrofuran; 1) 50 deg C, 5 h, 2) r.t., overnight;

upstream raw materials:

piperidine

ethyl 2,3-dibromo-3-(3'-methoxyphenyl)-4-fluorobutyrate

Downstream raw materials:

(E)-2-Amino-4-fluoro-3-(3-methoxy-phenyl)-but-3-enoic acid ethyl ester

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