[4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl pivalate
- Product Name
- [4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl pivalate
- CAS No.
- 1146629-77-7
- Chemical Name
- [4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl pivalate
- Synonyms
- Baricitinib Impurity 81;Baricitinib Impurity 42;[4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl ...;4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin070yl]methyl Pivalate;Methyl[4-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]pivalate;[4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl pivalate;4- (1H pyrazole-4-yl) -7H pyrrolo [2,3-d] pyrimidin-7-yl] methyl pentanoate;[4-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;[4-(1H-pyrazole-4-yl) -7h-pyrrorole [2,3-D] pyrimidine-7-yl] methyl tevalate ester;4- (1H-pyrazol-4-yl) -7H-pyrrolo [2,3-D] pyrimidine~7-yl] methyllevulinic acid ester
- CBNumber
- CB62737018
- Molecular Formula
- C15H17N5O2
- Formula Weight
- 299.33
- MOL File
- 1146629-77-7.mol
[4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl pivalate Property
- Boiling point:
- 536.7±50.0 °C(Predicted)
- Density
- 1.33±0.1 g/cm3(Predicted)
- storage temp.
- 2-8°C
- pka
- 10.76±0.50(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C15H17N5O2/c1-15(2,3)14(21)22-9-20-5-4-11-12(10-6-18-19-7-10)16-8-17-13(11)20/h4-8H,9H2,1-3H3,(H,18,19)
- InChIKey
- CPGIWDOJHYCMRW-UHFFFAOYSA-N
- SMILES
- C(OCN1C2C(C=C1)=C(C1=CNN=C1)N=CN=2)(=O)C(C)(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.
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
- P840545
- Product name
- [4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin070yl]methylPivalate
- Packaging
- 50mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- 7776DN
- Product name
- (4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methylpivalate
- Packaging
- 1g
- Price
- $77
- Updated
- 2021/12/16
- Product number
- A186222
- Product name
- (4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methylpivalate
- Purity
- 97%
- Packaging
- 250mg
- Price
- $6
- Updated
- 2021/12/16
- Product number
- A186222
- Product name
- (4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methylpivalate
- Purity
- 97%
- Packaging
- 1g
- Price
- $13
- Updated
- 2021/12/16
- Product number
- A186222
- Product name
- (4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methylpivalate
- Purity
- 97%
- Packaging
- 5g
- Price
- $46
- Updated
- 2021/12/16
[4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl pivalate Chemical Properties,Usage,Production
Chemical Properties
Type of white solid
Synthesis
269410-08-4
1146629-75-5
1146629-77-7
The general procedure for the synthesis of (4-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate from 4-pyrazole boronic acid pinacol ester and (4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl tertiarylate was performed as follows: in a reaction vessel, add (4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl) methyl 2,2-dimethylpropionate (10 g), water (50 mL) and potassium carbonate (15.5 g) and stirred at room temperature. Subsequently, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (8.7 g), 1,4-dioxane (100 mL) and tetrakis(triphenylphosphine)palladium(0) (0.08 g) were added. The reaction mixture was heated to 80°C to 85°C and stirred at this temperature for 14 hours. The reaction process was monitored by thin layer chromatography. Upon completion of the reaction, ethyl acetate (100 mL) was added to the mixture and stirring was continued for 1 hour. It was then filtered through Hyflo and washed with ethyl acetate (40 mL). The organic layer was separated and concentrated under reduced pressure to afford the target product [4-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl pivalate in 82.27% yield.
References
[1] Patent: WO2016/88094, 2016, A1. Location in patent: Page/Page column 10
[4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl pivalate Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from [4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl pivalate manufacturers
- Product
- Ruxolitinib Impurity 21 1146629-77-7
- Price
- US $0.00-0.00/mg
- Min. Order
- 10mg
- Purity
- 98%
- Supply Ability
- 500mg
- Release date
- 2024-08-06
- Product
- [4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl pivalate 1146629-77-7
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98.0%
- Supply Ability
- 10000KGS
- Release date
- 2024-11-14
- Product
- [4-(1H-pyrazole-4-yl) -7h-pyrrorole [2,3-D] pyrimidine-7-yl] methyl tevalate ester 1146629-77-7
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99.%
- Supply Ability
- 50 ton
- Release date
- 2024-08-23