ChemicalBook > CAS DataBase List > 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENE

3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENE

Product Name
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENE
CAS No.
68716-48-3
Chemical Name
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENE
Synonyms
Pinacol 3-Nitrobenzeneboronate;3-Nitrobenzeneboronic Acid Pinacol Cycl;3-Nitrobenzeneboronic acid pinacol ester;3-NITROPHENYLBORONIC ACID, PINACOL ESTER;3 - Nitrobenzene boric acid pinacol ester;3-Nitrobenzeneboronic Acid Pinacol Cyclic Ester;4,4,5,5-TetraMethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolan;2-(3-Nitrophenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane;4,4,5,5-TetraMethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane;3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENE
CBNumber
CB5146321
Molecular Formula
C12H16BNO4
Formula Weight
249.07
MOL File
68716-48-3.mol
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3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENE Property

Melting point:
76-80 °C (lit.)
Boiling point:
351.7±25.0 °C(Predicted)
Density 
1.14±0.1 g/cm3(Predicted)
storage temp. 
2-8°C
form 
solid
color 
white to off-white
InChI
InChI=1S/C12H16BNO4/c1-11(2)12(3,4)18-13(17-11)9-6-5-7-10(8-9)14(15)16/h5-8H,1-4H3
InChIKey
JWEAFTZTLIGAQU-UHFFFAOYSA-N
SMILES
O1C(C)(C)C(C)(C)OB1C1=CC=CC([N+]([O-])=O)=C1
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36/37
WGK Germany 
2
TSCA 
No
HS Code 
2931900090
Storage Class
11 - Combustible Solids
Hazard Classifications
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
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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.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
632708
Product name
3-Nitrophenylboronic acid pinacol ester
Purity
97%
Packaging
1g
Price
$88
Updated
2023/06/20
Sigma-Aldrich
Product number
632708
Product name
3-Nitrophenylboronic acid pinacol ester
Purity
97%
Packaging
5g
Price
$221
Updated
2023/06/20
TRC
Product number
N494320
Product name
3-Nitrophenylboronic acid pinacol ester
Packaging
50g
Price
$1320
Updated
2021/12/16
AK Scientific
Product number
AMTB759
Product name
3-Nitrophenylboronic acid pinacol ester
Packaging
1g
Price
$30
Updated
2021/12/16
ChemSupplyAustralia
Product number
300127
Product name
3-Nitrophenylboronic acid pinacol ester, 97%
Packaging
1g
Price
$46.2
Updated
2021/12/16
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3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENE Chemical Properties,Usage,Production

Uses

3-Nitrophenylboronic Acid Pinacol Ester is used in the preparation of [(pyrimidoindolyl)phenyl]benzamide derivatives and analogs as Janus kinase inhibitors.

Synthesis

3-Nitrophenylboronic acid pinacol ester was prepared as follows: in a dry tubular reactor under argon, 3-nitrophenyl diazonium tetrafluoroborate (1 mmol) and ferrocene (10 mol, 1.8 mg) were dissolved in 2 mL of anhydrous CH3CN. Diisopropylaminoborane (2 mmol, 226 mg) was then added to this solution and the mixture was stirred at room temperature for 2 h 30 min. The reaction mixture (2 mL) was quenched by slow addition of anhydrous MeOH at 0 C and stirred for another 1 hour at room temperature. After removing all volatiles, 1.3 equivalents of pinacol were added to Et2O (2 mL) and the mixture was stirred at room temperature for 4 hours. The crude mixture was washed with 50 g / L CuCl2 solution (2 x 5 mL). The organic layer was separated, dried with Na2SO4, filtered and concentrated to dryness. The resulting oil was dissolved with CH2Cl 2 and filtered through a silica gel pad, eluting with CH2Cl2 to give the corresponding boronic acid ester 3-nitrophenylboronic acid pinacol ester.

3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENE Preparation Products And Raw materials

Raw materials

Preparation Products

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3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENE Suppliers

Hangzhou SuGuan Chemical Technology Co., Ltd.
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View Lastest Price from 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENE manufacturers

Career Henan Chemical Co
Product
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENE 68716-48-3
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
200kg
Release date
2019-12-30

68716-48-3, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENERelated Search:


  • 4,4,5,5-TetraMethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolan
  • 3-Nitrobenzeneboronic acid pinacol ester
  • 2-(3-Nitrophenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane
  • 3-Nitrobenzeneboronic Acid Pinacol Cyclic Ester
  • 4,4,5,5-TetraMethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane
  • Pinacol 3-Nitrobenzeneboronate
  • 1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-(3-nitrophenyl)-
  • 1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-(3-NITROPHENYL)-;
  • 3 - Nitrobenzene boric acid pinacol ester
  • 3-NITROPHENYLBORONIC ACID, PINACOL ESTER
  • 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENE
  • 3-Nitrobenzeneboronic Acid Pinacol Cycl
  • 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nitrobenzene, 4,4,5,5-Tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolan
  • 68716-48-3
  • C12H16BNO4
  • Organometallic Reagents
  • Boronic Acids and Derivatives
  • Boronate Esters
  • Aryl
  • Aromatics
  • Boron Derivatives
  • Heterocycles
  • Intermediates & Fine Chemicals
  • Pharmaceuticals