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Cas Database |
| Name |
3-(Trifluoromethyl)cinnamic acid |
EINECS | 212-301-6 |
| CAS No. | 779-89-5 | Density | 1.363 g/cm3 |
| PSA | 37.30000 | LogP | 2.80320 |
| Solubility | N/A | Melting Point |
135-137 °C(lit.) |
| Formula | C10H7F3O2 | Boiling Point | 289.6 °C at 760 mmHg |
| Molecular Weight | 216.16 | Flash Point | 129 °C |
| Transport Information | N/A | Appearance | white solid |
| Safety | 26-37/39-37 | Risk Codes | 36/37/38-37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
3-(3-(Trifluoromethyl)phenyl)-2-propenoic acid;3-(3-(Trifluoromethyl)phenyl)acrylic acid; |
Article Data | 33 |
3-(Trifluoromethyl)cinnamic acid Synthetic route
- 401-81-0
m-trifluoromethylphenyl iodide
- 292638-85-8
acrylic acid methyl ester
- 779-89-5
3-(trifluoromethyl)cinnamic acid
| Conditions | Yield |
|---|---|
| With triethylamine; di-(3-methylphenyl)phosphinopolystyrene palladium catalyst In acetonitrile at 80℃; for 20h; Heck cross-coupling reaction; | 96% |
| Conditions | Yield |
|---|---|
| With piperidine; pyridine at 110℃; | 89% |
| piperidine In pyridine at 110 - 115℃; Knoevenagel-Doebner condensation; | 72% |
| With piperidine In pyridine at 80 - 90℃; |
- 1015065-52-7
m-trifluoromethyl-α-bromohydrocinnamic acid
- 779-89-5
3-(trifluoromethyl)cinnamic acid
| Conditions | Yield |
|---|---|
| Stage #1: m-trifluoromethyl-α-bromohydrocinnamic acid With sodium hydroxide; water; N-benzyl-N,N,N-triethylammonium chloride In isopropyl alcohol at 55 - 60℃; for 7h; Stage #2: With hydrogenchloride; water at 0℃; |
- 454-89-7
3-Trifluoromethylbenzaldehyde
- 108-24-7
acetic anhydride
- 779-89-5
3-(trifluoromethyl)cinnamic acid
| Conditions | Yield |
|---|---|
| at 175℃; for 5.25h; |
| Conditions | Yield |
|---|---|
| With piperidine; pyridine at 90℃; |
- 116577-12-9, 113048-68-3
(E)-ethyl 3-(3-trifluoromethylphenyl)prop-2-enoate
- 779-89-5
3-(trifluoromethyl)cinnamic acid
| Conditions | Yield |
|---|---|
| With lithium hydroxide In tetrahydrofuran; ethanol; water at 20℃; for 4h; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: dichloromethane / 16 h / 0 - 20 °C 2: lithium hydroxide / tetrahydrofuran; ethanol; water / 4 h / 20 °C View Scheme |
- 779-89-5
3-(trifluoromethyl)cinnamic acid
- 60689-14-7
trans-3-(trifluoromethyl)cinnamoyl chloride
| Conditions | Yield |
|---|---|
| With thionyl chloride In dichloromethane; N,N-dimethyl-formamide Reflux; Inert atmosphere; | 100% |
| With oxalyl dichloride; calcium carbonate In N,N-dimethyl-formamide; benzene for 24h; Ambient temperature; | |
| With thionyl chloride at 90℃; for 3h; |
| Conditions | Yield |
|---|---|
| With hydrogen; palladium dihydroxide at 40 - 60℃; under 2250.23 Torr; | 100% |
| With palladium on activated charcoal; hydrogen; sodium carbonate In water at 25℃; under 1500.15 - 2250.23 Torr; for 3h; | 99.4% |
| With hydrogen; palladium on activated charcoal In methanol at 20 - 25℃; under 30.003 Torr; | 95.2% |
- 779-89-5
3-(trifluoromethyl)cinnamic acid
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 93040-63-2
(E)-N,N-dimethyl-3-(3-(trifluoromethyl)phenyl)acrylamide
| Conditions | Yield |
|---|---|
| With hydrogenchloride; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide In 1,4-dioxane at 120℃; for 4h; | 99% |
3-(Trifluoromethyl)cinnamic acid Chemical Properties
Molecular structure of 2-Propenoic acid, 3-(3-(trifluoromethyl)phenyl)- (CAS NO.779-89-5) is:
Product Name: 2-Propenoic acid, 3-(3-(trifluoromethyl)phenyl)-
CAS Registry Number: 779-89-5
IUPAC Name: (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid
Molecular Weight: 216.15659 [g/mol]
Molecular Formula: C10H7F3O2
XLogP3: 3
H-Bond Donor: 1
H-Bond Acceptor: 5
EINECS: 212-301-6
Melting Point: 135-137 °C(lit.)
Surface Tension: 36.3 dyne/cm
Density: 1.363 g/cm3
Flash Point: 129 °C
Enthalpy of Vaporization: 55.86 kJ/mol
Boiling Point: 289.6 °C at 760 mmHg
Vapour Pressure: 0.001 mmHg at 25°C
Product Categories: Aromatic Cinnamic Acids, Esters and Derivatives; Miscellaneous; Aromatics Compounds; Aromatics; Inhibitors; C10; Carbonyl Compounds; Carboxylic Acids
3-(Trifluoromethyl)cinnamic acid Safety Profile
Safty information about 2-Propenoic acid, 3-(3-(trifluoromethyl)phenyl)- (CAS NO.779-89-5) is:
Hazard Codes: 
Xi
Risk Statements: 36/37/38-37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
R37/38:Irritating to respiratory system and skin.
Safety Statements: 26-37/39-37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S37:Wear suitable gloves.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
3-(Trifluoromethyl)cinnamic acid Specification
2-Propenoic acid, 3-(3-(trifluoromethyl)phenyl)- , its cas register number is 779-89-5. It also can be called 3-(3-(Trifluoromethyl)phenyl)-2-propenoic acid ; 3-(3-(Trifluoromethyl)phenyl)acrylic acid ; 3-(Trifluoromethyl)cinnamic acid .It is a white solid.
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