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

Basic Information

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CAS Number

862723-42-0

Molecular Formula

C13H17BN2O2

Molecular Weight

244.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

404.123°C at 760 mmHg

Density

1.154

Flash Point

198.207°C

Refractive Index

1.564

SMILES

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B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NN=C3

InChI

InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-5-6-11-9(7-10)8-15-16-11/h5-8H,1-4H3,(H,15,16)

InChIKey

SAGPUUKLGWNGOS-UHFFFAOYSA-N

LogP

1.8620999999999996

Topological Polar Surface Area

47.14 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

319

Safety Information

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Hazard Statement

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

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
1H-Indazole,5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
1H-Indazole-5-boronic acid pinacol ester
INDAZOLE-5-BORONIC ACID PINACOL ESTER
5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
1H-INDAZOLE, 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
PubChem15961
SAGPUUKLGWNGOS-UHFFFAOYSA-N
5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indazole
5-indazoleboronic acid pinacol ester
FD6037
A
(1H-INDAZOL-5-YL)BORONIC ACID PINACOL ESTER
AKOS005255782
MFCD07367523
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2h-indazole
Indazole-5-boronic acid pinacol ester
1423792-82-8
SY023725
1H-Indazole-5-boronic acid pinacol ester, 95%
DTXSID50590527
862723-42-0
DB-154577
DS-13171
CS-B0852
PB27756
EN300-221440
J-516202
Indazole-5-boronic acid pinacol ester;1H-Indazole-5-boronic acid pinacol ester
SCHEMBL10475

MDL Number

MFCD07367523

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CAS: 862723-42-0)?

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is a crystalline solid with a molecular weight of approximately 342.21 g/mol. It has a low solubility in water but good solubility in organic solvents such as dichloromethane and acetonitrile. The compound is known for its stability and low reactivity under normal conditions, making it suitable for various chemical reactions.

How is 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CAS: 862723-42-0) typically synthesized?

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is typically synthesized via the reaction of indazole with 1,3,2-dioxaborine-2-yl triflate in the presence of a base like potassium tert-butoxide. The reaction is carried out under inert conditions to ensure high selectivity and yield. The process involves the formation of a boron-containing intermediate which then couples with indazole to form the final product.

What industries use 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CAS: 862723-42-0)?

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of various drugs and also finds application in the production of advanced polymers due to its unique structural properties.

What precautions should be taken when handling 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CAS: 862723-42-0)?

When handling 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, it should be contained and cleaned up using appropriate absorbents, and the area should be thoroughly washed down. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.