Products Categories
| CAS No.: | 289686-70-0 |
|---|---|
| Name: | 2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic acid |
| Article Data: | 15 |
| Molecular Structure: | |
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|
|
| Formula: | C12H10F6O2 |
| Molecular Weight: | 300.201 |
| Synonyms: | 2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic acid;α,α-DiMethyl-3,5-bis(trifluoroMethyl)benzeneaceticAcid;Netupitant SM1 |
| EINECS: | -0 |
| Density: | 1.378±0.06 g/cm3(Predicted) |
| Melting Point: | 105.5-107℃ |
| Boiling Point: | 232.5±35.0 °C(Predicted) |
| PSA: | 37.30000 |
| LogP: | 4.08640 |
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methyl 2-(3,5-bis(trifluoromethyl)phenyl)-2-methylpropanoate
- 289686-70-0
α,α-Dimethyl-3,5-bis(trifluoromethyl)benzeneacetic Acid
| Conditions | Yield |
|---|---|
| Stage #1: methyl 2-(3,5-bis(trifluoromethyl)phenyl)-2-methylpropanoate With lithium hydroxide; water In tetrahydrofuran; methanol at 20℃; for 72h; Stage #2: With hydrogenchloride In water | 100% |
| With lithium hydroxide; water In tetrahydrofuran; methanol at 20℃; for 72h; | 100% |
| With water; sodium hydroxide In methanol at 100℃; for 7h; Time; Temperature; Inert atmosphere; | 90% |
- 201230-82-2
carbon monoxide
- 67570-38-1
α,α-dimethyl-3,5-bis(trifluoromethyl)benzenemethanol
- 289686-70-0
α,α-Dimethyl-3,5-bis(trifluoromethyl)benzeneacetic Acid
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid In dichloromethane; water at 20℃; under 22501.8 Torr; for 2h; | 97% |
- 85068-33-3
3,5-bistrifluoromethylphenyl acetic acid
- 74-88-4
methyl iodide
B
- 289686-73-3
(RS)-α-Methyl-3,5-bis(trifluoromethyl)benzeneacetic Acid
C
- 289686-70-0
α,α-Dimethyl-3,5-bis(trifluoromethyl)benzeneacetic Acid
| Conditions | Yield |
|---|---|
| Stage #1: 3,5-bistrifluoromethylphenyl acetic acid With n-butyllithium Stage #2: methyl iodide | A n/a B n/a C 91% |
- 289686-70-0
α,α-Dimethyl-3,5-bis(trifluoromethyl)benzeneacetic Acid
| Conditions | Yield |
|---|---|
| With sulfuric acid In water for 4h; Time; Reflux; | 87% |
| With potassium hydroxide In 5,5-dimethyl-1,3-cyclohexadiene; ethylene glycol at 135℃; for 12h; Autoclave; Large scale; | 80% |
| Stage #1: 2-(3,5-bis-trifluoromethylphenyl)-2-methyl propionitrile With sodium hydroxide at 145℃; for 12h; Sealed tube; Large scale; Stage #2: With hydrogenchloride In water at 20℃; pH=1; Large scale; | 2.43 kg |
- 2052-01-9
2-bromo-2-methylpropionic acid
- 73852-19-4
3,5-bis-trifluromethylphenylboronic acid
- 289686-70-0
α,α-Dimethyl-3,5-bis(trifluoromethyl)benzeneacetic Acid
| Conditions | Yield |
|---|---|
| With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate In 1,4-dioxane; water at 60℃; for 3h; Reagent/catalyst; Inert atmosphere; | 85% |
- 85068-33-3
3,5-bistrifluoromethylphenyl acetic acid
- 74-88-4
methyl iodide
- 289686-70-0
α,α-Dimethyl-3,5-bis(trifluoromethyl)benzeneacetic Acid
| Conditions | Yield |
|---|---|
| With n-butyllithium In tetrahydrofuran; hexane at -50 - 20℃; for 5h; Inert atmosphere; Large scale; | 77% |
- 107-21-1
ethylene glycol
- 289686-70-0
α,α-Dimethyl-3,5-bis(trifluoromethyl)benzeneacetic Acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 135℃; for 20h; Reagent/catalyst; Temperature; Reflux; | 73% |
- 201230-82-2
carbon monoxide
- 67570-38-1
α,α-dimethyl-3,5-bis(trifluoromethyl)benzenemethanol
C
- 289686-70-0
α,α-Dimethyl-3,5-bis(trifluoromethyl)benzeneacetic Acid
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid at 0℃; | A n/a B n/a C 56% |
- 328-70-1
3,6-bis(trifluoromethyl)bromobenzene
- 289686-70-0
α,α-Dimethyl-3,5-bis(trifluoromethyl)benzeneacetic Acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: magnesium / diethyl ether / 1 h / 30 °C 1.2: diethyl ether / 0.75 h / 16 - 22 °C 2.1: 97 percent / CF3SO3H / CH2Cl2; H2O / 2 h / 20 °C / 22501.8 Torr View Scheme | |
| Multi-step reaction with 3 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 1 h / 0 °C 1.2: 10 h / 90 °C 2.1: sodium hydroxide / methanol / 5 h / Reflux 3.1: sodium hydride / N,N-dimethyl-formamide / 1 h / -5 °C 3.2: 10 h / 50 °C View Scheme | |
| Multi-step reaction with 2 steps 1: bis(η3-allyl-μ-chloropalladium(II)); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; 1,3,5-trimethyl-benzene / 20 h / 140 °C / Schlenk technique; Inert atmosphere; Reflux 2: potassium hydroxide / 20 h / 135 °C / Reflux View Scheme |
- 328-72-3
3,5-(bistrifluoromethyl)chlorobenzene
- 289686-70-0
α,α-Dimethyl-3,5-bis(trifluoromethyl)benzeneacetic Acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: bis(η3-allyl-μ-chloropalladium(II)); dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane / 1,3,5-trimethyl-benzene / 20.25 h / 0 - 145 °C / Inert atmosphere; Large scale 2.1: sodium hydride / mineral oil; 1,4-dioxane / 10.25 h / 15 - 45 °C / Inert atmosphere; Large scale 3.1: sodium hydroxide / 12 h / 145 °C / Sealed tube; Large scale 3.2: 20 °C / pH 1 / Large scale View Scheme |
