6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

Basic Information

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CAS Number

642494-36-8

Molecular Formula

C14H18BNO2

Molecular Weight

243.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

396°C at 760 mmHg

SMILES

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B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=CN3

InChI

InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-6-5-10-7-8-16-12(10)9-11/h5-9,16H,1-4H3

InChIKey

VNDFXJNIKZCQRY-UHFFFAOYSA-N

LogP

2.4671000000000003

Topological Polar Surface Area

34.25 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

316

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(1H-INDOL-6-YL)BORONIC ACID PINACOL ESTER
6-indoleboronic acid pinacol ester
6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indole
Indole-6-yl-boronic acid pinacol ester
lndole-6-boronic acid pinacol ester
Indole-6-boronic acid pinacolate
PB27777
1H-Indole,6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
AKOS015950894
642494-36-8
VNDFXJNIKZCQRY-UHFFFAOYSA-N
BCP10487
CS-0038313
MFCD07368852
AM20040947
SY123372
EN300-7386127
SCHEMBL13718
DS-16988
Indole-6-boronic acid pinacol ester
A8818
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
FT-0743363
Indole-6-boronic acid, pinacol ester
1H-INDOLE, 6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
Z3234954412
DTXSID20660549
6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
INDOLE-6-BORONIC ACID PINACOL ESTER
Indole-6-boronicacidpinacolester
PubChem23558

MDL Number

MFCD07368852

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CAS: 642494-36-8)?

The compound 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CAS: 642494-36-8) falls under the jurisdiction of various regulations including the REACH system for chemicals in the EU, the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for occupational safety and health, and may require registration with the U.S. Environmental Protection Agency (EPA) if it is used in commercial products. Compliance with these guidelines is essential for manufacturing, distribution, and use.

Are there alternatives to 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CAS: 642494-36-8) in synthesis?

Alternatives to 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CAS: 642494-36-8) in synthesis include various boronic acid derivatives such as pinacol boronate or 2-bromopyridine borane. These can serve as precursors in similar reactions, providing comparable reactivity for Suzuki coupling and other cross-coupling reactions.

What is the market or research trend for 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CAS: 642494-36-8)?

The market for 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CAS: 642494-36-8) is driven by its use in pharmaceutical and material sciences. Research trends focus on its application in drug discovery, particularly in the development of new anti-cancer and anti-inflammatory agents. Additionally, its use in the synthesis of complex organic molecules is growing due to its reactivity in cross-coupling reactions.

How should waste containing 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CAS: 642494-36-8) be handled?

Waste containing 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CAS: 642494-36-8) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration or chemical treatment may be necessary to ensure complete decomposition, and environmental protection measures should be followed to prevent contamination of soil and water. Compliance with local hazardous waste regulations is essential.