N-[4-氰基-3-(三氟甲基)苯基]-3-[(4-氟苯基)硫基]-2-羟基-2-甲基丙酰胺 | 90356-78-8
中文名称:
N-[4-氰基-3-(三氟甲基)苯基]-3-[(4-氟苯基)硫基]-2-羟基-2-甲基丙酰胺
英文名称:
Bicalutamide Sulfide
CAS No.:
90356-78-8
分子式:
C1 8 H1 4 F4 N2 O2 S
分子量:
398.374577045441
名称和标识符
MDL
MFCD08235143
InChIKey
GCGWWKKSGPETMI-UHFFFAOYSA-N
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)
SMILES
N#CC1C(C(F)(F)F)=CC(NC(C(CSC2C=CC(F)=CC=2)(C)O)=O)=CC=1
别名信息
- 中文别名 -
N-[4-氰基-3-(三氟甲基)苯基]-3-[(4-氟苯基)硫基]-2-羟基-2-甲基丙酰胺
N-[4-氰基-3-(三氟甲基)苯基]-3-(4-氟苯巯基)-2-羟基-2-甲基丙酰胺
1,2-环氧-2-甲基-N-[4-氰基--3-(三氟甲基)苯基]-丙烯酰胺
3-氯苯基碘化锌
N-[4-氰基-3-(三氟甲基)苯基]-3-
比卡鲁胺硫(比卡鲁胺EP杂质J)
硫化比卡鲁胺
硫化比鲁卡胺
- 英文别名 -
N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)thio)-2-hydroxy-2-methylpropanamide
BICALUTAMIDE-SULFIDE (BICALUTAMIDE ASH)
n-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide
Bicalutamide Intermediate
N-[4-Cyano-3-trifluoromethy phenyl]-S-(4-fluorophenylthio)-2-hydrdoxy-2-methyl-propionamide
4-OYANO-3-TRIFLUOROMETHYL-N-[3-(4-FLUOROPHENYLTHIO)-2-HYDROXYL-2-METHYLPROPIONYL]ANILINE
Bicalutamide Sulfide
N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluoro-phenyl)thio)-2-hydroxy-2-methylpropanamide
N-[4-Cyano-3-(Trifluoromethyl)Phenyl]-3-[(4-Fluorophenyl)thio]-2-Hydroxy-2-Methy
N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropanamide
4-cyano-3-trifluoromethyl-N-(3-p-fluorophenylthio-2-hydroxy-2-methylpropionyl)aniline
4-CYANO-3-TRIFLUOROMETHYL-N-[3-(4-FLUOROPHENYLTHIO)-2-HYDROXYL-2-METHYLPROPIONYL]ANILINE
INTERMEDIATE OF BICALUTAMIDE
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfanyl]-2-hydroxy-2-methylpropanamide
N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-[(4-FLUOROPHENYL)THIO]-2-HYDROXY-2-MET
Propanamide,N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-,(?à)-
N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylsulfanyl)-2-hydroxy-2-methylpropionamide
Propanamide,N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-
N-[4-Cyano-3-(Trifluoromethyl)phenyl]-3-[(4-Fluorophenyl)thio]-2-Hydroxy-2-Methyl Propionamide
N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylthio)-2-hydroxy-2-methylpropanamide
N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluoro-phenyl)thio)-2-hydroxy-2-methylpropan
N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropanamide (ACI)
Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-, (±)- (ZCI)
物化性质
实验特性
LogP
4.27098
PSA
98.42000
沸点
565.6°C at 760 mmHg
熔点
109-111°C
计算特性
精确分子量
398.07100
氢键供体数量
2
氢键受体数量
8
可旋转化学键数量
5
重原子数量
27
复杂度
571
拓扑分子极性表面积
98.4
合成路线
合成路线:1 步
1.1
Reagents:
Potassium carbonate
;
rt → 60 °C; 16 h, 50 - 60 °C; 60 °C → rt
参考文献:
A process for preparing N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-propanamide and its isomers useful as intermediates for manufacturing bicalutamide
,
China ,
,
,
合成路线:1 步
1.1
Reagents:
Oxygen
Solvents:
Dimethyl sulfoxide
,
1,2-Dichloroethane
;
12 h, 30 °C
参考文献:
DMSO-Mediated Difunctionalization of Electron-Deficient Olefins to Access β-Hydroxysulfides with High Chemoselectivity
Gao, Bao
;
Liu, Xiaojun;
Yan, Qian;
Yang, Ruiting;
Jiang, Tao; et al ,
Synthesis ,
2022 ,
54(9) ,
2258-2266
合成路线:1 步
1.1
Solvents:
Acetonitrile
,
1,2-Dichloroethane
;
6 h, rt
1.2
Reagents:
Triphenylphosphine
;
2 h, rt
参考文献:
Auto-oxidative hydroxysulfenylation of alkenes
Huo, Congde;
Wang, Yajun;
Yuan, Yong;
Chen, Fengjuan;
Tang, Jing ,
Chemical Communications (Cambridge ,
2016 ,
52(45) ,
7233-7236