4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER
- Product Name
- 4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER
- CAS No.
- 214360-51-7
- Chemical Name
- 4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER
- Synonyms
- 4-Boronobenzenesulfonamide,pinacol ester;4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER;4-Sulfamoylbenzeneboronic acid, pinacol ester;4-Sulphamoylbenzeneboronic acid, pinacol ester;BENZENESULFONAMIDE-4-BORONIC ACID PINACOL ESTER;Benzenesulfonamide-4-boronic acid pinacol ester ,98%;4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfon...;4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)benzenesulfonamide;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulphonamide
- CBNumber
- CB4127800
- Molecular Formula
- C12H18BNO4S
- Formula Weight
- 283.15
- MOL File
- 214360-51-7.mol
4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER Property
- Boiling point:
- 427.1±47.0 °C(Predicted)
- Density
- 1.24±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 10.00±0.10(Predicted)
- form
- solid
- color
- Off-white to light yellow
- InChI
- InChI=1S/C12H18BNO4S/c1-11(2)12(3,4)18-13(17-11)9-5-7-10(8-6-9)19(14,15)16/h5-8H,1-4H3,(H2,14,15,16)
- InChIKey
- XDDLLUBKOZYOMY-UHFFFAOYSA-N
- SMILES
- C1(S(N)(=O)=O)=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1
Safety
- HS Code
- 2931900090
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.
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
- S699055
- Product name
- 4-SulfamoylphenylboronicAcidPinacolEster
- Packaging
- 1g
- Price
- $120
- Updated
- 2021/12/16
- Product number
- FB160465
- Product name
- 4-Boronobenzenesulfonamide, pinacol ester
- Packaging
- 500mg
- Price
- $125
- Updated
- 2021/12/16
- Product number
- FB160465
- Product name
- 4-Boronobenzenesulfonamide, pinacol ester
- Packaging
- 250mg
- Price
- $80
- Updated
- 2021/12/16
- Product number
- 8H69-1-Y3
- Product name
- 4-Sulfamoylbenzeneboronic acid, pinacol ester
- Purity
- 98%
- Packaging
- 500mg
- Price
- $96
- Updated
- 2021/12/16
- Product number
- 121936
- Product name
- 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide
- Purity
- >95%
- Packaging
- 1g
- Price
- $162
- Updated
- 2021/12/16
4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER Chemical Properties,Usage,Production
Uses
4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER is used for preparation of Valdecoxib.
Synthesis
Potassium acetate (2.5 g, 24.4 mmol) was added to a solution of 4-bromobenzenesulfonamide (2.00 g, 9.32 mmol) and bis(pinacolato)diboron (2.40 g, 9.32 mmol) in DMSO (20 mL) and the mixture was degassed for 45 minutes. Then [1,1'-bis(diphenylphosphino)ferrocene]dichloropalladium(II) (220 mg, 0.26 mmol) was added and the mixture was heated to 90C for 16 hours. Once cooled, the reaction mixture was diluted with EtOAc (30 mL), washed with water (3 x 30 mL), dried over MgSO4 and concentrated under vacuum. The residue was ground from Et2O (50 mL) and HCl (1 M, 50 mL), and the solid formed was dissolved in CH2Cl2 (30 mL) and filtered through a silica gel pad washed with Et2O, followed by concentration to give phenylsulfonamide-4-boronic acid as an off-white solid, 13% yield, 550 mg.
4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER Preparation Products And Raw materials
Raw materials
Preparation Products
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