Products Categories
| CAS No.: | 585-50-2 |
|---|---|
| Name: | 3-(3-Trifluoromethylphenyl)propionic acid |
| Article Data: | 31 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H9F3O2 |
| Molecular Weight: | 218.175 |
| Synonyms: | Hydrocinnamicacid, m-(trifluoromethyl)- (7CI,8CI);3-(3-Trifluoromethylphenyl)propanoicacid;3-Trifluoromethylbenzenepropanoic acid;3-[3-(Trifluoromethyl)phenyl]propionic acid;m-(Trifluoromethyl)hydrocinnamicacid; |
| EINECS: | 639-439-3 |
| Density: | 1.307 g/cm3 |
| Melting Point: | 35°C(lit.) |
| Boiling Point: | 268.7 °C at 760 mmHg |
| Flash Point: | 116.3 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 37.30000 |
| LogP: | 2.72260 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| 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% |
| Conditions | Yield |
|---|---|
| With hydrogen; 5% Pd(II)/C(eggshell) In methanol at 25℃; under 735.572 Torr; for 10h; | 100% |
| Stage #1: 3-(trifluoromethyl)cinnamic acid With palladium diacetate; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In dichloromethane at 25℃; for 12h; Schlenk technique; Inert atmosphere; Stage #2: With hydrogenchloride In water | 97% |
| With palladium diacetate; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In dichloromethane at 25℃; for 12h; Sealed tube; Inert atmosphere; chemoselective reaction; | 97% |
- 95096-06-3
3-(3-(trifluoromethyl)phenyl)propanenitrile
- 585-50-2
3-(3-trifluoromethylphenyl)propanoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water for 4.5h; Product distribution / selectivity; | 94% |
| With sodium hydroxide; water In ethylene glycol at 125℃; for 9h; Product distribution / selectivity; |
- 3984-22-3
2-vinyl-1,3-dioxolane
- 401-78-5
3-bromo-1-trifluoromethylbenzene
- 585-50-2
3-(3-trifluoromethylphenyl)propanoic acid
| Conditions | Yield |
|---|---|
| Stage #1: 2-vinyl-1,3-dioxolane; 3-bromo-1-trifluoromethylbenzene With potassium carbonate; Pd-Tedicyp catalyst In N,N-dimethyl-formamide at 110℃; for 20h; Heck reaction; Stage #2: With sodium hydroxide; water In N,N-dimethyl-formamide at 50 - 80℃; | 93% |
A
- 585-50-2
3-(3-trifluoromethylphenyl)propanoic acid
B
- 262268-58-6
(E)-3-(3-(trifluoromethyl)phenyl)acrylaldehyde
| Conditions | Yield |
|---|---|
| With edetate disodium; thiamine diphosphate; sodium citrate; magnesium chloride In water; acetonitrile at 20℃; Rate constant; pH 6.0, brewers' yeast pyruvate decarboxylase (PDC, EC 4.1.1.1), also in the presence of pyruvamide; |
- 585-50-2
3-(3-trifluoromethylphenyl)propanoic acid
| Conditions | Yield |
|---|---|
| With carbon dioxide; magnesium |
- 585-50-2
3-(3-trifluoromethylphenyl)propanoic acid
| Conditions | Yield |
|---|---|
| Stage #1: m-trifluoromethyl-α-chlorohydrocinnamic acid With acetic acid; zinc In water at 20 - 35℃; for 1h; Stage #2: With hydrogenchloride In water at 20℃; Product distribution / selectivity; |
- 294856-02-3
methyl 3-(3-(trifluoromethyl)phenyl)propanoate
- 585-50-2
3-(3-trifluoromethylphenyl)propanoic acid
| Conditions | Yield |
|---|---|
| Stage #1: methyl 3-(3-(trifluoromethyl)phenyl)propanoate With sodium hydroxide; isopropyl alcohol at 20℃; for 6h; Stage #2: With hydrogenchloride; water | |
| Stage #1: methyl 3-(3-(trifluoromethyl)phenyl)propanoate With lithium hydroxide monohydrate In tetrahydrofuran; water at 20℃; for 48h; Stage #2: With hydrogenchloride In tetrahydrofuran; diethyl ether; water | |
| With water; sodium hydroxide In methanol at 20℃; for 4h; | 3.9 g |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: piperidine / pyridine / 50 - 75 °C / Inert atmosphere 1.2: 0 °C / Cooling with ice 2.1: hydrogen / palladium 10% on activated carbon / methanol / 2.5 h / 750.08 Torr View Scheme | |
| Multi-step reaction with 2 steps 1.1: pyridine; piperidine / 4.25 h / 20 - 120 °C / Inert atmosphere 1.2: pH 2 2.1: sodium hydroxide / water / 20 °C 2.2: 7 h / 25 - 30 °C / 750.08 Torr 2.3: pH 2 View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: palladium diacetate; potassium carbonate; triphenylphosphine / N,N-dimethyl-formamide / 15 h / 110 °C / Inert atmosphere 1.2: 15 h / 20 °C / 760.05 Torr 2.1: lithium hydroxide monohydrate / tetrahydrofuran; water / 48 h / 20 °C View Scheme |
- 58560-75-1IBUPROFEN
- 586348-66-5Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, (1R,2R)-, nitrate (salt)
- 58-64-0ADP
- 58670-89-62-DECYL-1-TETRADECANOL
- 586-76-54-Bromobenzoic acid
- 586-78-71-Bromo-4-nitrobenzene
- 58682-86-316-hydroxy-16-methyl-9-oxo-prosta-10,13-dien-1-oic acid methyl ester
- 587-04-23-Chlorobenzaldehyde
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
What can I do for you?
Get Best Price
Specification
The 3-(3-Trifluoromethylphenyl)propionic acid with the CAS number 585-50-2 is also called Benzenepropanoic acid,3-(trifluoromethyl)-. Its molecular formula is C10H9F3O2. This chemical belongs to the following product categories: (1)Carboxylic Acids; (2)Phenyls & Phenyl-Het; (3)Carboxylic Acids; (4)Phenyls & Phenyl-Het.
The properties of the chemical are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): -0.38; (5)ACD/BCF (pH 5.5): 4.15; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 50.63; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 46.97 cm3; (15)Molar Volume: 166.8 cm3; (16)Polarizability: 18.62×10-24cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Enthalpy of Vaporization: 53.53 kJ/mol; (19)Vapour Pressure: 0.00375 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1)CCC(=O)O
(2)InChI: InChI=1/C10H9F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-3,6H,4-5H2,(H,14,15)
(3)InChIKey: YLTJJMIWCCJIHI-UHFFFAOYAZ