1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-imidazole

Basic Information

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CAS Number

942070-72-6

Molecular Formula

C10H17BN2O2

Molecular Weight

208.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

352.0±15.0℃ at 760 mmHg

SMILES

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B1(OC(C(O1)(C)C)(C)C)C2=CN=CN2C

InChI

InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-12-7-13(8)5/h6-7H,1-5H3

InChIKey

SNKPPKAANOYIRX-UHFFFAOYSA-N

LogP

0.7192999999999994

Topological Polar Surface Area

36.28 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

242

Synonyms & References

English

1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole
1-Methylimidazole-5-boronic Acid Pinacol Ester
1H-Imidazole, 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
1-METHYL-1H-IMIDAZOLE-5-BORONIC ACID PINACOL ESTER
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
(3-Methylimidazol-4-yl)boronic acid pinacol ester
1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole
1-Methyl-1H-imidazole-5-boronic acid pinacol este
SNKPPKAANOYIRX-UHFFFAOYSA-N
STL557426
BB
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole (ACI)
1-Methyl-1H-imidazole-5-boronic acid pinacol ester
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
MFCD11846349
AS-55678
SY014902
BBL103616
1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-IMIDAZOLE
SCHEMBL3282058
1-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1h-imidazole
DA-16675
DTXSID80648388
AB64622
1-Methylimidazole-5-boronic acid, pinacol ester
EN300-90584
AC1345
942070-72-6
AKOS016007538
CS-W021355

MDL Number

MFCD11846349

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-imidazole (CAS: 942070-72-6)?

1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-imidazole is a white crystalline solid with a molecular weight of approximately 322.4 g/mol. It has limited aqueous solubility but is soluble in organic solvents like DMSO. This compound is relatively stable under normal conditions but reacts with water to form the corresponding hydroxyl compound. It is important for its role in organoborane chemistry and catalytic reactions.

How is 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-imidazole (CAS: 942070-72-6) typically synthesized?

1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-imidazole can be synthesized via a multistep process involving the synthesis of the 1,3,2-dioxaborolane derivative, followed by its coupling with 1-methylimidazole. This reaction typically requires a palladium catalyst and is optimized for high yield and selectivity in organic synthesis.

What industries use 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-imidazole (CAS: 942070-72-6)?

1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-imidazole is primarily used in the pharmaceutical industry for its role as a boron-containing organocatalyst in asymmetric synthesis. It is also utilized in the development of new materials and sensors, particularly in the field of organoborane chemistry and catalysis.

What precautions should be taken when handling 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-imidazole (CAS: 942070-72-6)?

When handling 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-imidazole, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Ensure proper storage in a dry, cool place, and follow standard laboratory safety practices as outlined in the Safety Data Sheet (SDS).