tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxylate
- Product Name
- tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxylate
- CAS No.
- 936694-19-8
- Chemical Name
- tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxylate
- Synonyms
- piperazine-1-carboxylate;t-Butyl 4-[[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl;4-(4-Boc-Piperazinomethyl)phenylboronic acid, pinacol ester;tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);4-[(4-Boc-1-piperazinyl)methyl]phenylboronic Acid Pinacol Ester;tert-butyl 4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazine-1-carboxylate;tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxylate;tert-Butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate;1-Piperazinecarboxylic acid, 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-, 1,1-dimethylethyl ester
- CBNumber
- CB12564598
- Molecular Formula
- C22H35BN2O4
- Formula Weight
- 402.34
- MOL File
- 936694-19-8.mol
tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxylate Property
- Melting point:
- 125-130 °C
- Boiling point:
- 486.5±45.0 °C(Predicted)
- Density
- 1.10±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 6.31±0.10(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 936694-19-8
Safety
- HS Code
- 2933998090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- B661958
- Product name
- 4-(4-Boc-Piperazinomethyl)phenylboronicacid,pinacolester
- Packaging
- 250mg
- Price
- $55
- Updated
- 2021/12/16
- Product number
- OR303445
- Product name
- 4-((4-Boc-piperazine)methyl)phenylboronicacidpinacolester
- Packaging
- 500mg
- Price
- $116
- Updated
- 2021/12/16
- Product number
- 8H60-1-FC
- Product name
- 4-((4-Boc-piperazine)methyl) phenylboronic acid pinacol ester
- Packaging
- 500mg
- Price
- $128
- Updated
- 2021/12/16
- Product number
- OR303445
- Product name
- 4-((4-Boc-piperazine)methyl)phenylboronicacidpinacolester
- Packaging
- 1g
- Price
- $138
- Updated
- 2021/12/16
- Product number
- BOR0002840
- Product name
- 4-(4-BOC-PIPERAZINEMETHYL)PHENYLBORONIC ACID PINACOL ESTER
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $198.45
- Updated
- 2021/12/16
tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxylate Chemical Properties,Usage,Production
Synthesis
844891-10-7
73183-34-3
936694-19-8
Step II: Synthesis of tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate (V-1). Under argon protection, tert-butyl 4-(4-bromobenzyl)piperazine-1-carboxylate (7.5 g, 21.1 mmol), pinacol ester of bis(boronic acid) (8 g, 31.7 mmol) and potassium acetate (4.1 g, 42.2 mmol) were dissolved in DMSO (50 mL). Subsequently [1,1'-bis(diphenylphosphino)ferrocene]palladium(II) dichloride (0.77 g, 1.06 mmol) was added. The reaction mixture was stirred at 90 °C for 16 hours. The reaction progress was monitored by TLC. Upon completion of the reaction, water (100 mL) was added to the mixture and the product was extracted with ethyl acetate (50 mL x 3). The organic phases were combined, washed sequentially with water (100 mL) and brine (100 mL), dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography (eluent: 2-20% methanol gradient in dichloromethane) to afford the target compound 4-(4-Boc-piperazinylmethyl)phenylboronic acid pinacol ester V-1 (7 g, 82% yield).LCMS: m/z 403.3 ([M+H]+).
References
[1] Patent: WO2013/157022, 2013, A1. Location in patent: Page/Page column 54-55
[2] Patent: US2015/64196, 2015, A1. Location in patent: Paragraph 0177
tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxylate Preparation Products And Raw materials
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