N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide
- Product Name
- N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide
- CAS No.
- 90356-78-8
- Chemical Name
- N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide
- Synonyms
- BicalutaMide Sulfide;Bicalutamide-EP-Imp-J;Bicalutamide Impurity J;Bicalutamide Intermediate;Bicalutamide EP Impurity J;INTERMEDIATE OF BICALUTAMIDE;N-[4-Cyano-3-(trifluoromethyl);Bicalutamide Impurity 8(EP Impurity J);Bicalutamide intermediate (thio ether);BICALUTAMIDE-SULFIDE (BICALUTAMIDE ASH)
- CBNumber
- CB8250746
- Molecular Formula
- C18H14F4N2O2S
- Formula Weight
- 398.37
- MOL File
- 90356-78-8.mol
N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide Property
- Melting point:
- 109-111°C
- Boiling point:
- 565.6±50.0 °C(Predicted)
- Density
- 1.43±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.31±0.29(Predicted)
- color
- White
- PH
- 6.45 at 24℃ and 10g/L
- InChI
- InChI=1S/C18H14F4N2O2S/c1-17(26,10-27-14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
- InChIKey
- GCGWWKKSGPETMI-UHFFFAOYSA-N
- SMILES
- C(NC1=CC=C(C#N)C(C(F)(F)F)=C1)(=O)C(O)(C)CSC1=CC=C(F)C=C1
- LogP
- 3.8 at 30℃
- CAS DataBase Reference
- 90356-78-8(CAS DataBase Reference)
Safety
- Safety Statements
- 24/25
- HS Code
- 29242990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H317May cause an allergic skin reaction
H411Toxic to aquatic life with long lasting effects
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P272Contaminated work clothing should not be allowed out of the workplace.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P321Specific treatment (see … on this label).
P333+P313IF SKIN irritation or rash occurs: Get medical advice/attention.
P363Wash contaminated clothing before reuse.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- B382040
- Product name
- BicalutamideSulfide
- Packaging
- 250mg
- Price
- $120
- Updated
- 2021/12/16
- Product number
- B382040
- Product name
- BicalutamideSulfide
- Packaging
- 1g
- Price
- $365
- Updated
- 2021/12/16
- Product number
- IB18585
- Product name
- Bicalutamide sulfide
- Packaging
- 5G
- Price
- $450
- Updated
- 2021/12/16
- Product number
- 090739
- Product name
- N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluoro-phenyl)thio)-2-hydroxy-2-methylpropanamide
- Purity
- 95+%
- Packaging
- 250mg
- Price
- $681
- Updated
- 2021/12/16
- Product number
- APN0002253
- Product name
- N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-[(4-FLUOROPHENYL)THIO]-2-HYDROXY-2-METHYLPROPIONAMIDE
- Purity
- 95.00%
- Packaging
- 250MG
- Price
- $716.1
- Updated
- 2021/12/16
N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide Chemical Properties,Usage,Production
Chemical Properties
White Solid
Uses
Bicalutamide intermediate.
Synthesis
371-42-6
90357-51-0
90356-78-8
Example 1 Preparation of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropanamide: 4-Fluorobenzenethiol (21 g) was dissolved in methanol (65 ml) and cooled to 0°C. 50% aqueous sodium hydroxide solution (14g) was added in batches under stirring. The reaction mixture was stirred at 0°C for 30 min, followed by continued stirring at 25°C for 1 hr. N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl oxirane amide (40 g) was added to the reaction system and the reaction was stirred at room temperature for 2 hours. The progress of the reaction was monitored by thin layer chromatography (TLC). After completion of the reaction, water (100 ml) was added to the mixture and the pH was adjusted to below 7 with concentrated hydrochloric acid. Methanol was removed by distillation under reduced pressure until no methanol was distilled. The resulting suspension was stirred at 5°C for 3 h. The solid product was collected by filtration and washed with water (2 x 40 ml). Finally, the solid was dried under vacuum at 50-60°C to afford the target product N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropanamide 58 g in 98% yield.
References
[1] Patent: US2007/27211, 2007, A1. Location in patent: Page/Page column 2; 4
[2] Patent: US2003/191337, 2003, A1. Location in patent: Page/Page column 5; 11
[3] Patent: US2013/274501, 2013, A1. Location in patent: Paragraph 0107; 0108; 0109
[4] Patent: US2003/191337, 2003, A1. Location in patent: Page/Page column 5; 11
[5] Patent: US2003/191337, 2003, A1. Location in patent: Page/Page column 12; 13
N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide manufacturers
- Product
- N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide 90356-78-8
- Price
- US $2.20-8.80/kg
- Min. Order
- 1kg
- Purity
- 99%min
- Supply Ability
- 100kg
- Release date
- 2025-08-29
- Product
- N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide 90356-78-8
- Price
- US $1.00/kg
- Min. Order
- 1kg
- Purity
- 98%min
- Supply Ability
- as request
- Release date
- 2018-12-23