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

Basic Information

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CAS Number

1029684-37-4

Molecular Formula

C14H23BN2O3

Molecular Weight

278.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

129-133℃

Water Solubility

Slightly soluble in water.

SMILES

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B1(OC(C(O1)(C)C)(C)C)C2=CN=CN2C3CCCCO3

InChI

InChI=1S/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-9-16-10-17(11)12-7-5-6-8-18-12/h9-10,12H,5-8H2,1-4H3

InChIKey

BVIWGBKKGPHNAB-UHFFFAOYSA-N

LogP

1.8814

Topological Polar Surface Area

45.510000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

348

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

1-(Tetrahydro-2H-pyran-2-yl)-1H-imidazole-5-boronic acid pinacol ester
1-(2-Tetrahydropyranyl)-1H-imidazole-5-boronic acid pinacol ester
1-(Tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole
1-(Tetrahydro-pyran-2-yl)-1H-imidazole-5-boronic acid pinacol ester
1-(tetrahydropyran-2-yl)-1h-imidazole-5-boronic acid pinacol ester
1H-Imidazole, 1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
1-(Tetrahydro-2H-pyran-2-yl)
1-(Tetrahydro-2H-pyran-2-yl)-1H-imidazole-5-boroni
1-(Tetrahydro-2H-pyran-2-yl)-1H-imidazole-5-boronic acid pinacol
1-(oxan-2-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole
4,4,5,5-TetraMethyl-2-(1-(tetrahydro-2H-pyran-2-yl)-1H-iMidazol-5-yl)-1,3,2-dioxaborolane
SCHEMBL1485133
BVIWGBKKGPHNAB-UHFFFAOYSA-N
MFCD11100960
BBL101529
SY022828
1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-IMIDAZOLE-5-BORONIC ACID PINACOL ESTER
PB16346
DTXSID10647783
1-(TETRAHYDRO-2H-PYRAN-2-YL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-IMIDAZOLE
1-(2-Tetrahydropyranyl)imidazole-5-boronic Acid Pinacol Ester
1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-IMIDAZOLE-5-BORONI
1-(Oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole
P17256
AKOS005259367
AS-53897
1029684-37-4
STL555325
CS-W014020
EN300-101788

MDL Number

MFCD11100960

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1-(Tetrahydro-2H-pyran-2-YL)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-imidazole (CAS: 1029684-37-4)?

The compound is a solid with a crystalline form. Its molecular weight is approximately 416.46 g/mol. It has low water solubility but good solubility in organic solvents such as methanol and acetonitrile. Chemically, it shows reactivity similar to imidazoles, particularly with nucleophiles and electrophiles. It exhibits good stability under normal conditions but can react with strong acids or bases.

How is 1-(Tetrahydro-2H-pyran-2-YL)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-imidazole (CAS: 1029684-37-4) typically synthesized?

The compound is synthesized using a Suzuki coupling reaction. Typically, 1-(tetrahydro-2H-pyran-2-yl)-imidazole is reacted with 4,4,5,5-tetramethyl-2-borono-1,3,2-dioxaborole in the presence of a palladium catalyst, such as Pd(PPh3)2Cl2, and a base like cesium carbonate. The reaction yields the target compound with high selectivity and good yield.

What industries use 1-(Tetrahydro-2H-pyran-2-YL)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-imidazole (CAS: 1029684-37-4)?

This compound is used in the pharmaceutical industry for its potential as a drug candidate due to its unique structure. It is also utilized in the polymer industry for its ability to enhance the properties of certain polymers. Additionally, it finds applications in sensor technology and semiconductor manufacturing, where it can be used in the synthesis of functional materials.

What precautions should be taken when handling 1-(Tetrahydro-2H-pyran-2-YL)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-imidazole (CAS: 1029684-37-4)?

When handling this compound, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be handled carefully, using appropriate absorbents and disposing of the waste according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.