4-(2,4-difluorophenyl)pent-4-enoic Acid

Base Information

• Chemical Name: 4-(2,4-difluorophenyl)pent-4-enoic Acid
• CAS No.: 165115-70-8
• Molecular Formula: C₁₁H₁₀F₂O₂
• Molecular Weight: 212.196
• UNII: TKE3RS72L7
• Mol file: 165115-70-8.mol

Synonyms:4-(2,4-difluorophenyl)pent-4-enoic Acid;165115-70-8;TKE3RS72L7;SCHEMBL3892255;AEKBJBNRZGVHBJ-UHFFFAOYSA-N;2,4-Difluoro-gamma-methylenebenzenebutanoic acid;Benzenebutanoic acid, 2,4-difluoro-gamma-methylene-

Chemical Property of 4-(2,4-difluorophenyl)pent-4-enoic Acid

Chemical Property:

• Boiling Point: 306.2±32.0 °C(Predicted)
• Density: 1.238±0.06 g/cm3(Predicted)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 212.06488588
• Heavy Atom Count: 15
• Complexity: 253

Purity/Quality:

99.0% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=C(CCC(=O)O)C1=C(C=C(C=C1)F)F

Technology Process of 4-(2,4-difluorophenyl)pent-4-enoic Acid

There total 8 articles about 4-(2,4-difluorophenyl)pent-4-enoic Acid 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: 85.0%

Methyltriphenylphosphonium bromide (1779-49-3) + 4-(2,4-difluorophenyl)-4-oxobutanoic acid (110931-77-6) → 4-(2,4-difluorophenyl)-pent-4-enoic acid (165115-70-8)

Guidance literature:

Methyltriphenylphosphonium bromide; With sodium t-butanolate; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

4-(2,4-difluorophenyl)-4-oxobutanoic acid; In tetrahydrofuran; at 20 - 40 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2018.11.056

Reference yield:

methyl-triphenylphosphonium iodide (2065-66-9) + 4-(2,4-difluorophenyl)-4-oxobutanoic acid (110931-77-6) → 4-(2,4-difluorophenyl)-pent-4-enoic acid (165115-70-8)

Guidance literature:

With sodium t-butanolate; In toluene; at 25 - 55 ℃;

Reference yield:

4-(2,4-difluorophenyl)-4-oxobutanoic acid (110931-77-6) → 4-(2,4-difluorophenyl)-pent-4-enoic acid (165115-70-8)

Guidance literature:

With Methyltriphenylphosphonium bromide; sodium t-butanolate; In toluene; at 60 - 65 ℃; for 5h; Inert atmosphere;

upstream raw materials:

4-(2,4-difluorophenyl)-4-oxobutanoic acid

Methylenetriphenylphosphorane

1,3-Difluorobenzene

2-(2,4-difluorophenyl)allyl alcohol

Downstream raw materials:

4-(2,4-Difluoro-phenyl)-pent-4-enoyl chloride

4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-((2S,3S)-2-(benzyloxy)pentan-3-yl)-1H-1,2,4-triazol-5(4H)-one

posaconazote

(2R-cis)-2-(2,4-difluorophenyl)-4-[[(4-methylphenyl)sulfonyloxy]methyl]-2-[(1H-1,2,4-triazol-1-yl)methyl]tetrahydrofuran