Benzenepropanal, 2,4,5-trifluoro-

Base Information

• Chemical Name: Benzenepropanal, 2,4,5-trifluoro-
• CAS No.: 955403-59-5
• Molecular Formula: C9H7F3O
• Molecular Weight: 188.149
• Mol file: 955403-59-5.mol

Synonyms:Benzenepropanal, 2,4,5-trifluoro-

Chemical Property of Benzenepropanal, 2,4,5-trifluoro-

Chemical Property:

• Vapor Pressure: 0.291mmHg at 25°C
• Boiling Point: 202.6°C at 760 mmHg
• Flash Point: 80.9°C
• PSA: 17.07000
• Density: 1.265g/cm³
• LogP: 2.23540

Purity/Quality:

97% ^*data from raw suppliers

2,4,5-TRIFLUORO-BENZENEPROPANAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzenepropanal, 2,4,5-trifluoro-

There total 5 articles about Benzenepropanal, 2,4,5-trifluoro- 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: 95.0%

1-iodo-2,4,5-trifluorobenzene (17533-08-3) + allyl alcohol (107-18-6) → 3-(2,4,5-trifluorophenyl)propanal (955403-59-5)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; palladium diacetate; sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 45 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.tet.2012.01.095

Reference yield:

ethyl 3-(2,4,5-trifluorophenyl)propanoate → 3-(2,4,5-trifluorophenyl)propanal (955403-59-5)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; toluene; at -78 ℃;

DOI:10.1016/j.tetlet.2015.12.116

Reference yield:

2,4,5-trifluorobenzaldehyde (165047-24-5) → 3-(2,4,5-trifluorophenyl)propanal (955403-59-5)

Guidance literature:

Multi-step reaction with 3 steps

1: benzene / Reflux

2: palladium 10% on activated carbon; hydrogen / methanol / 1 h / 760.05 Torr

3: diisobutylaluminium hydride / toluene; dichloromethane / -78 °C

With palladium 10% on activated carbon; hydrogen; diisobutylaluminium hydride; In methanol; dichloromethane; toluene; benzene; 1: |Wittig Olefination;

DOI:10.1016/j.tetlet.2015.12.116

upstream raw materials:

1-iodo-2,4,5-trifluorobenzene

allyl alcohol

2,4,5-trifluorobenzaldehyde

ethyl 3-(2,4,5-trifluorophenyl)acrylate

Downstream raw materials:

C₁₇H₂₀F₃N₃

(R)-3-(2,4,5-trifluorophenyl)propane-1,2-diol

(2S)-3-(2,4,5-trifluorophenyl)propane-1,2-diol

(R)-3-hydroxy-4-(2,4,5-trifluorophenyl)butanenitrile