2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic acid
- Product Name
- 2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic acid
- CAS No.
- 289686-70-0
- Chemical Name
- 2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic acid
- Synonyms
- Netupitant SM1;Netupitant int4;2-(3,5-two(trifluoromethyl)Phenyl)-2-Methylpropional;2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic;α,α-DiMethyl-3,5-bis(trifluoroMethyl)benzeneaceticAcid;Benzeneacetic acid, α,α-dimethyl-3,5-bis(trifluoromethyl)-;2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic acid;2-(3,5- BIS(TRIFLOUROMETHYL)PHENYL)-2- METHYLPROPANOIC ACID;2- (3,5-di (trifluoromethyl) phenyl) -2-methylpropionic acid
- CBNumber
- CB22676900
- Molecular Formula
- C12H10F6O2
- Formula Weight
- 300.2
- MOL File
- 289686-70-0.mol
2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic acid Property
- Melting point:
- 105.5-107℃
- Boiling point:
- 232.5±35.0 °C(Predicted)
- Density
- 1.378±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.06±0.14(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C12H10F6O2/c1-10(2,9(19)20)6-3-7(11(13,14)15)5-8(4-6)12(16,17)18/h3-5H,1-2H3,(H,19,20)
- InChIKey
- ORLKRFYFNMCQIG-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)(C)C
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- B585610
- Product name
- 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoicAcid
- Packaging
- 1g
- Price
- $105
- Updated
- 2021/12/16
- Product number
- FB95283
- Product name
- 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropionic acid
- Packaging
- 1g
- Price
- $65
- Updated
- 2021/12/16
- Product number
- FB95283
- Product name
- 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropionic acid
- Packaging
- 2g
- Price
- $84
- Updated
- 2021/12/16
- Product number
- FB95283
- Product name
- 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropionic acid
- Packaging
- 5G
- Price
- $130
- Updated
- 2021/12/16
- Product number
- FB95283
- Product name
- 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropionic acid
- Packaging
- 10g
- Price
- $230
- Updated
- 2021/12/16
2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic acid Chemical Properties,Usage,Production
Uses
2-?(3,?5-?Bis(trifluoromethyl)?phenyl)?-?2-?methylpropanoic Acid is a reagent used in the synthesis of NK1/NK3 receptor antagonists used in the treatment of depression.
Synthesis
334477-48-4
289686-70-0
The general procedure for the synthesis of 2-(3,5-bis-trifluoromethyl-phenyl)-2-methylpropanoic acid using nerapitant impurity 20 as a starting material was as follows: lithium hydroxide monohydrate (2.13 g, 50.6 mmol) was added to α,α-dimethyl-3,5-bis(trifluoromethyl)benzeneacetic acid methyl ester (5.3 g, 16.88 mmol) in a methanol (60 mL), water (20 mL) and tetrahydrofuran (20 mL) in a suspension. The mixture was degassed and the reaction was stirred at room temperature for 3 days. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. The residue was suspended in 1 M hydrochloric acid and extracted with ethyl acetate. The organic phases were combined and dried over anhydrous magnesium sulfate, followed by evaporation of the solvent under reduced pressure to afford the target product 2-(3,5-bis-trifluoromethyl-phenyl)-2-methylpropanoic acid as a colorless solid (5.05 g, 100% yield). The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3): δ 7.84 (2H, s), 7.80 (1H, s), 1.68 (6H, s).
References
[1] Patent: US2003/225059, 2003, A1. Location in patent: Page 22
[2] Patent: US2003/236250, 2003, A1. Location in patent: Page 18
[3] Patent: CN107721815, 2018, A. Location in patent: Paragraph 0039; 0041; 0051; 0053; 0055; 0065; 0069; 0079
[4] Bioorganic and medicinal chemistry letters, 2002, vol. 12, # 13, p. 1755 - 1758
[5] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 19, p. 5310 - 5315
2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic acid manufacturers
- Product
- 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropionic acid 289686-70-0
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 99.0%
- Supply Ability
- 1000kg
- Release date
- 2025-11-27
- Product
- 2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic acid 289686-70-0
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-09-27
- Product
- 2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic acid 289686-70-0
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%min
- Supply Ability
- 5tons/year
- Release date
- 2022-01-11