3-(3-(Trifluoromethyl)phenyl)propanal
- CAS NO.:21172-41-8
- Empirical Formula: C10H9F3O
- Molecular Weight: 202.17
- MDL number: MFCD07772918
- EINECS: 606-717-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-06-14 10:06:21
What is 3-(3-(Trifluoromethyl)phenyl)propanal?
Chemical properties
Colourless Oil
The Uses of 3-(3-(Trifluoromethyl)phenyl)propanal
3-(Trifluoromethyl)benzenepropanal (cas# 21172-41-8) is a compound useful in organic synthesis.
Synthesis
A solution of 3-(Trifluoromethyl) benzene propanol (1.0 g, 4.90 mmol) in dichloromethane (20 ml) is cooled in a water/ice bath, treated in succession with DMSO (770 mg, 9.80 mmol) and P2O5 (1.39 g, 9.80 mmol) and left under stirring for 30 minutes, while temperature raises to 20°C. The reaction mixture is then cooled in water/ice bath and triethylamine (2.4 ml, 17.15 mmol). The resulting solution is kept under stirring while the temperature raises to 20°C. After one hour, the mixture is treated with 5 per cent HCl, the phases are separated, and the organic one is further washed with 5 per cent HCl. The organic phase is then washed with brine, dried over Na2SO4, filtered and concentrated under reduced pressure to afford 0.99 g of the aldehyde of 3-(3-(Trifluoromethyl)phenyl)propanal in quantitative yield.
Properties of 3-(3-(Trifluoromethyl)phenyl)propanal
Boiling point: | 207.4±35.0 °C(Predicted) |
Density | 1.192±0.06 g/cm3(Predicted) |
storage temp. | Inert atmosphere,Store in freezer, under -20°C |
solubility | Soluble in Chloroform, Dichloromethane, Ethyl acetate |
form | Oil |
color | Clear colorless to pale yellow oily liquid |
Stability: | Not very stable, new spot on TLC if kept at r.t. o/n. |
InChI | InChI=1S/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5-7H,2,4H2 |
Safety information for 3-(3-(Trifluoromethyl)phenyl)propanal
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
Computed Descriptors for 3-(3-(Trifluoromethyl)phenyl)propanal
InChIKey | APCCHYPQHODSBD-UHFFFAOYSA-N |
SMILES | C1(CCC=O)=CC=CC(C(F)(F)F)=C1 |
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