3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole

Basic Information

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CAS Number

832114-00-8

Molecular Formula

C11H18BNO3

Molecular Weight

223.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

95-99 °C

Boiling Point

324.7°C at 760 mmHg

Density

1.05

Flash Point

150.2°C

Refractive Index

1.467

SMILES

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B1(OC(C(O1)(C)C)(C)C)C2=C(ON=C2C)C

InChI

InChI=1S/C11H18BNO3/c1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12/h1-6H3

InChIKey

CVLHETBAROWASE-UHFFFAOYSA-N

LogP

1.5906399999999998

Topological Polar Surface Area

44.49000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

266

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

3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-isoxazole
3,5-Dimethylisoxazole-4-boronic acid pinacol ester
3,5-Dimethylisoxazole-4-boronic acid pinacol ester, 97%
3,5-dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-isoxazole
3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
PB15817
3,5-Dimethyl-4-isoxazoleboronic Acid Pinacol Ester
3,5-dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)isoxazole
C11H18BNO3
3,5-Dimethylisoxazole-4-boronic acid, pinacol ester
SCHEMBL174783
SB10007
DTXSID80374433
SY031776
3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)isoxazole
832114-00-8
3,5-dimethyl-4-(4,4,5,5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)isoxazole
Z1695772846
MFCD05863910
EN300-155894
3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole
(3,5-DIMETHYLISOXAZOL-4-YL)BORONIC ACID PINACOL ESTER
D3772
AKOS015907286
3,5-dimethylisoxazole-4-boronic acid pinacolester
(3,5-Dimethyl-4-isoxazolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
DS-13702
3,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
AC-24012
J-511358
AM20100803

MDL Number

MFCD05863910

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole (CAS: 832114-00-8)?

3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole is a white crystalline solid with a molecular weight of approximately 312.3 g/mol. It is sparingly soluble in common organic solvents like ethanol and acetone. The compound shows moderate reactivity in the presence of moisture and is susceptible to hydrolysis. It is stable under anhydrous conditions.

How is 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole (CAS: 832114-00-8) typically synthesized?

3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole is typically synthesized via a metal-catalyzed coupling reaction, often using Pd(0) catalysts like Pd(PPh3)4. The reaction involves the coupling of a boronic acid derivative with a 1,2-oxazole derivative under an inert atmosphere, yielding the target compound with good selectivity and up to 90% yield.

What industries use 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole (CAS: 832114-00-8)?

3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole is used in the pharmaceutical industry for drug synthesis, particularly in the development of boron-containing drugs. It is also relevant in the polymer industry for introducing boron functionality into polymers, and in the electronics industry for the production of semiconductors and sensors.

What precautions should be taken when handling 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole (CAS: 832114-00-8)?

When handling 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The compound should be stored in a cool, dry place away from moisture. In case of spill, use an appropriate spill kit or dry it with absorbent material. Refer to the safety data sheet (SDS) for detailed information on handling and disposal.