(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyraMide
- Product Name
- (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyraMide
- CAS No.
- 368421-58-3
- Chemical Name
- (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyraMide
- Synonyms
- (2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)butanethioaMide;(2S,3S)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide; 368421-58-3;1H-1,2,4-Triazole-1-butanethioamide, β-(2,5-difluorophenyl)-β-hydroxy-α-methyl-, (αR,βR)-;3R)-3-(2;ISAVUCONAZOLE IST-1;Isavuconazole Impuirty G;Isavuconazole Impurity G;Ixaconazole intermediate;Aishakang Intermediate 8
- CBNumber
- CB02709066
- Molecular Formula
- C13H14F2N4OS
- Formula Weight
- 312.34
- MOL File
- 368421-58-3.mol
(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyraMide Property
- Melting point:
- 198-200oC
- Boiling point:
- 536.4±60.0 °C(Predicted)
- Density
- 1.43±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 11.54±0.29(Predicted)
- color
- Off-White
- InChI
- InChI=1/C13H14F2N4OS/c1-8(12(16)21)13(20,5-19-7-17-6-18-19)10-4-9(14)2-3-11(10)15/h2-4,6-8,20H,5H2,1H3,(H2,16,21)/t8-,13+/s3
- InChIKey
- UWVOPVUWKIHGRF-MKHMJDPCNA-N
- SMILES
- C(=S)(N)[C@H](C)[C@](C1=CC(F)=CC=C1F)(O)CN1C=NC=N1 |&1:3,5,r|
- CAS DataBase Reference
- 368421-58-3
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- D446345
- Product name
- (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide
- Packaging
- 1mg
- Price
- $150
- Updated
- 2021/12/16
- Product number
- P000096376
- Product name
- (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide
- Purity
- 97%
- Packaging
- 100mg
- Price
- $17
- Updated
- 2021/12/16
- Product number
- P000096376
- Product name
- (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide
- Purity
- 97%
- Packaging
- 250mg
- Price
- $25
- Updated
- 2021/12/16
- Product number
- CS-M3468
- Product name
- (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide
- Packaging
- 1g
- Price
- $61
- Updated
- 2021/12/16
- Product number
- P000096376
- Product name
- (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide
- Purity
- 97%
- Packaging
- 1g
- Price
- $62
- Updated
- 2021/12/16
(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyraMide Chemical Properties,Usage,Production
Uses
(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide is an intermediate in the synthesis of Isavuconazole (I777830), an triazole based antifungal agent for the treatment of invasive fungal infections.
Synthesis
(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyraMide is prepared by passing (2S,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butyronitrile and O,O-Diethyl hydrogen phosphorodithioate through the following steps.
Step 1: (2S,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butyronitrile; O,O-Diethyl hydrogen phosphorodithioate In water; isopropyl alcohol at 78℃; for 15h;
Step 2: With sodium hydroxide In dichloromethane; water at 20℃; pH=7-8.
(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyraMide Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyraMide manufacturers
- Product
- (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyraMide 368421-58-3
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1000kg
- Release date
- 2025-06-07
- Product
- Isavuconazole Impurity 36 368421-58-3
- Price
- US $0.00-0.00/mg
- Min. Order
- 10mg
- Purity
- 98%
- Supply Ability
- 500mg
- Release date
- 2025-05-14
- Product
- (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyraMide 368421-58-3
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 98.0%
- Supply Ability
- 10kg/month
- Release date
- 2022-12-28