ledipasvir interMediate
- Product Name
- ledipasvir interMediate
- CAS No.
- 1256387-87-7
- Chemical Name
- ledipasvir interMediate
- Synonyms
- (1R,3S,4S);Ledipasvir Impurity 12;Ledipasvir Intermediate 1;Intermediate of Redipavir;Ledipasvir Intermediate 09;2-Azabicyclo[2.2.1]heptane-2-carboxylic acid;(1R,3S,4S)-3-[6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl...;(1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-ethyl ester;2-[(1R,3S,4S)-2-Boc-2-azabicyclo[2.2.1]heptan-3-yl]-1H-benzimidazole-6-boronic Acid Pinacol Ester;(1R,3S,4S)-2-tert-Butyl-3-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-benzo[d]imidazol-2-yl)
- CBNumber
- CB12710876
- Molecular Formula
- C24H34BN3O4
- Formula Weight
- 439.36
- MOL File
- 1256387-87-7.mol
ledipasvir interMediate Property
- Boiling point:
- 613.5±35.0 °C(Predicted)
- Density
- 1.21±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 12.16±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- InChIKey
- MYPUONINDNZBTH-GMBSWORKSA-N
- SMILES
- [C@]12([H])C[C@]([H])(CC1)[C@@H](C1NC3=CC(B4OC(C)(C)C(C)(C)O4)=CC=C3N=1)N2C(OC(C)(C)C)=O
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.
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
- CS-M3581
- Product name
- 2-Azabicyclo[2.2.1]heptane-2-carboxylicacid,3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-,1,1-dimethylethylester,(1R,3S,4S)-
- Purity
- ≥99.0%
- Packaging
- 1g
- Price
- $66
- Updated
- 2021/12/16
- Product number
- CS-M3581
- Product name
- 2-Azabicyclo[2.2.1]heptane-2-carboxylicacid,3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-,1,1-dimethylethylester,(1R,3S,4S)-
- Purity
- ≥99.0%
- Packaging
- 5g
- Price
- $212
- Updated
- 2021/12/16
- Product number
- 9595AF
- Product name
- (1R,3S,4S)-3-[6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylicacid1,1-dimethylethylester
- Packaging
- 5g
- Price
- $460
- Updated
- 2021/12/16
- Product number
- A242722
- Product name
- (1R,3S,4S)-tert-Butyl3-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
- Purity
- 95+%
- Packaging
- 100mg
- Price
- $19
- Updated
- 2021/12/16
- Product number
- A242722
- Product name
- (1R,3S,4S)-tert-Butyl3-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
- Purity
- 95+%
- Packaging
- 250mg
- Price
- $27
- Updated
- 2021/12/16
ledipasvir interMediate Chemical Properties,Usage,Production
Synthesis
1256387-74-2
99770-93-1
1256387-87-7
I. Preparation of Compound 613: tert-Butyl (1R,3S,4S)-3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate (264 mg, 0.673 mmol), bis(pinacol) 1,4-phenylene diboronate (5 eq, 3.36 g, 6.95 mmol), tetrakis(triphenylphosphine) A mixture of palladium (5%, 39 mg) and 2M aqueous potassium carbonate (3 eq, 1.01 mL) in 5 mL of 1,2-dimethoxyethane (DME) was heated to 90°C for 4 hours under argon protection. After completion of the reaction, the reaction mixture was cooled, diluted with ethyl acetate and washed with saturated sodium bicarbonate solution. The organic layer was dried over anhydrous magnesium sulfate, concentrated, and purified by fast column chromatography (silica gel, 20% to 60% ethyl acetate/hexane gradient elution) to afford (1R,3S,4S)-3-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1] Heptane-2-carboxylic acid tert-butyl ester (295 mg, 85% yield).LCMS-ESI (m/z): [M+H]+ Calculated value C30H38BN3O4: 515.45; Measured value: 516.1.
References
[1] Patent: WO2013/40492, 2013, A2. Location in patent: Page/Page column 91-92
[2] Patent: US2013/273005, 2013, A1. Location in patent: Paragraph 0350
ledipasvir interMediate Preparation Products And Raw materials
Raw materials
Preparation Products
ledipasvir interMediate Suppliers
- Tel
- --
- Fax
- --
- cici1124@gmail.com
- Country
- United Kingdom
- ProdList
- 248
- Advantage
- 50
View Lastest Price from ledipasvir interMediate manufacturers
- Product
- ledipasvir interMediate 1256387-87-7
- Price
- US $2.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- ask
- Release date
- 2018-12-20
- Product
- (1R,3S,4S)-2-tert-Butyl-3-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-benzo[d]imidazol-2-yl) 1256387-87-7
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 100t
- Release date
- 2018-03-06