3-(Trifluoromethyl)benzenepropanal

Base Information

• Chemical Name: 3-(Trifluoromethyl)benzenepropanal
• CAS No.: 21172-41-8
• Molecular Formula: C10H9F3O
• Molecular Weight: 202.176
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID00461591
• Nikkaji Number: J2.095.408F
• Wikidata: Q72511653
• Mol file: 21172-41-8.mol

Synonyms:21172-41-8;3-(Trifluoromethyl)benzenepropanal;3-(3-(trifluoromethyl)phenyl)propanal;3-[3-(trifluoromethyl)phenyl]propanal;3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE;3-(3-TRIFLUOROMETHYLPHENYL)PROPIONALDEHYDE;MFCD07772918;BENZENEPROPANAL, 3-(TRIFLUOROMETHYL)-;3-[3-(trifluoromethyl)phenyl]propionaldehyde;SCHEMBL66607;DTXSID00461591;3-(3-trifluoromethylphenyl)propanal;BCP04289;CS-B0224;AKOS011897726;AB42281;AM84735;3-(3-Trifluoromethylphenyl)propanaldehyde;AC-29727;AS-18203;SY107576;3-[(3-Trifluoromethylphenyl)]propionaldehyde;A4580;FT-0675527;3-[3-(trifluoromethyl)phenyl]-propionaldehyde;EN300-1932868;J-511026

Chemical Property of 3-(Trifluoromethyl)benzenepropanal

Chemical Property:

• Appearance/Colour: colourless oil
• Boiling Point: 207.4 °C at 760 mmHg
• Flash Point: 93.1 °C
• PSA: 17.07000
• Density: 1.192 g/cm³
• LogP: 2.83690
• Storage Temp.: -20°C Freezer
• Solubility.: Soluble in Chloroform, Dichloromethane, Ethyl acetate
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 202.06054939
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

3-(3-(trifluoromethyl)phenyl)propanal 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)CCC=O
• Uses: 3-(Trifluoromethyl)benzenepropanal is a compound useful in organic synthesis. 3-(Trifluoromethyl)benzenepropanal (cas# 21172-41-8) is a compound useful in organic synthesis.

Technology Process of 3-(Trifluoromethyl)benzenepropanal

There total 15 articles about 3-(Trifluoromethyl)benzenepropanal 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: 100.0%

3-[3-(trifluoromethyl)phenyl]propan-1-ol (78573-45-2) → 3-[3-(trifluoromethyl)phenyl]propanal (21172-41-8)

Guidance literature:

3-[3-(trifluoromethyl)phenyl]propan-1-ol; With phosphorus pentoxide; dimethyl sulfoxide; In dichloromethane; at 20 ℃; Cooling with ice;

With triethylamine; In dichloromethane; at 20 ℃; Cooling with ice;

Reference yield: 89.0%

m-trifluoromethylphenyl iodide (401-81-0) + allyl alcohol (107-18-6) → 3-[3-(trifluoromethyl)phenyl]propanal (21172-41-8)

Guidance literature:

With tetrabutyl-ammonium chloride; palladium diacetate; sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 0 - 50 ℃;

DOI:10.1016/j.bmcl.2009.05.119

Reference yield: 78.0%

→ 3-[3-(trifluoromethyl)phenyl]propanal (21172-41-8)

Guidance literature:

upstream raw materials:

3-[3-(trifluoromethyl)phenyl]propan-1-ol

3-(trifluoromethyl)cinnamic acid

3-(3-trifluoromethylphenyl)propanoic acid

(E)-3-(3-(trifluoromethyl)phenyl)acrylaldehyde

Downstream raw materials:

3-[3-(trifluoromethyl)phenyl]propan-1-ol

methylsulfonyl-3-(3-trifluoromethylphenyl)propyl ester

cinacalcet

C₁₈H₂₂F₃N₃