1-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one

Product Name: 1-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one
CAS No.: 1220696-38-7
Chemical Name: 1-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one
Synonyms: 1-Methyl-2-oxoindoline-5-boronic Acid Pinacol Ester;1-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one;2H-Indol-2-one, 1,3-dihydro-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CBNumber: CB82709961
Molecular Formula: C15H20BNO3
Formula Weight: 273.14
MOL File: 1220696-38-7.mol

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1-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one Property

Boiling point:: 468.6±45.0 °C(Predicted)
Density: 1.14±0.1 g/cm3(Predicted)
storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
pka: -0.19±0.20(Predicted)
Appearance: Light brown to brown Solid
InChI: InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)11-6-7-12-10(8-11)9-13(18)17(12)5/h6-8H,9H2,1-5H3
InChIKey: IGFPFGIDECTAJQ-UHFFFAOYSA-N
SMILES: N1(C)C2=C(C=C(B3OC(C)(C)C(C)(C)O3)C=C2)CC1=O

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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.

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N-Bromosuccinimide Price

TRC

Product number: M340055
Product name: 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one
Packaging: 10mg
Price: $45
Updated: 2021/12/16

Synthonix

Product number: M17659
Product name: 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one
Purity: 97%
Packaging: 250mg
Price: $250
Updated: 2021/12/16

AK Scientific

Product number: 1107DP
Product name: 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)indolin-2-one
Packaging: 250mg
Price: $316
Updated: 2021/12/16

Synthonix

Product number: M17659
Product name: 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one
Purity: 97%
Packaging: 100mg
Price: $170
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: BOR0007491
Product name: 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)INDOLIN-2-ONE
Purity: 95.00%
Packaging: 5MG
Price: $501.63
Updated: 2021/12/16

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1-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one Chemical Properties,Usage,Production

Synthesis

20870-90-0

73183-34-3

1220696-38-7

1. 5-Bromo-1-methyl-2-oxodihydroindole (537 mg, 2.375 mmol), pinacol bis(boronic acid) (987 mg, 3.89 mmol), potassium acetate (636 mg, 6.48 mmol), Pd(dppf)Cl2-CH2Cl2 (88 mg, 0.108 mmol) and 1,2-di-methoxyethane (15.6 mL) were sequentially added to the microwave reaction vial. -dimethoxyethane (15.6 mL). 2. The reaction mixture was stirred at 80 °C overnight. 3. Upon completion of the reaction, the reaction solution was concentrated and the solvent was removed. 4. The crude product was purified by silica gel column chromatography (Biotage system, cyclohexane/ethyl acetate gradient elution) to afford the target compound 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dihydroindol-2-one (500 mg, 85% yield). 5. The structure of the product was confirmed by 1H-1H-1 , 1H-1 ,2,3,2-dihydroxyethylene dimethoxyethane (15.6 mL). 5. The structure of the product was confirmed by 1H-NMR (500 MHz, CDCl3): δ 7.78 (d, J = 7.7 Hz, 1H), 7.69 (s, 1H), 6.84 (d, J = 7.7 Hz, 1H), 3.52 (s, 2H), 3.24 (s, 3H), 1.36 (s, 12H). 6. LC-MS (ESI, m/z) analysis showed Rt = 2.90 min, [M-H]- m/z = 274 (HPLC method E).

References

[1] Patent: WO2015/144290, 2015, A1. Location in patent: Page/Page column 94
[2] Patent: WO2010/130794, 2010, A1. Location in patent: Page/Page column 54; 55
[3] Patent: US2016/9720, 2016, A1. Location in patent: Paragraph 0589
[4] Patent: US2016/9712, 2016, A1. Location in patent: Paragraph 0365
[5] Patent: US2016/289238, 2016, A1. Location in patent: Paragraph 0318; 0319

1-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one Preparation Products And Raw materials

Raw materials

Preparation Products

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1-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one Suppliers

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1220696-38-7, 1-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)indolin-2-oneRelated Search:

1-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one

1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one

2H-Indol-2-one, 1,3-dihydro-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

1-Methyl-2-oxoindoline-5-boronic Acid Pinacol Ester

1220696-38-7