Ethyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate

Basic Information

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CAS Number

346656-34-6

Molecular Formula

C14H19BO4

Molecular Weight

262.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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O=C(OCC)c2c(B1OCC(C)(C)CO1)cccc2

InChI

InChI=1S/C14H19BO4/c1-4-17-13(16)11-7-5-6-8-12(11)15-18-9-14(2,3)10-19-15/h5-8H,4,9-10H2,1-3H3

InChIKey

GZHASWCTAWNFFW-UHFFFAOYSA-N

LogP

1.6314999999999995

Topological Polar Surface Area

44.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

309

Synonyms & References

English

Ethyl 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzoate
2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzoic Acid Ethyl Ester
2-(2-Carbethoxyphenyl)-5,5-Dimethyl-1,3,2-Dioxaborinane
Benzoic acid, 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, ethyl ester
2-(2-Ethoxycarbonylphenyl)-5,5-dimethyl-1,3,2-dioxaborinane
HSL-IN-3
VZ23095
E0667
A822338
2-(2-Carbethoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane

MDL Number

MFCD08276372

Customs Code

2934999090

FAQ

What is Ethyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate (CAS: 346656-34-6)?

Ethyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate is a chemical compound with the CAS number 346656-34-6. It is an ester compound with the molecular formula C16H18B2O5. It is characterized by its unique boron-dioxide ring structure and is mainly used in pharmaceutical research and development.

What are the main uses of Ethyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate (CAS: 346656-34-6)?

Ethyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate is primarily used in pharmaceutical research for synthesizing organic compounds and as a precursor in medicinal chemistry. It also has potential applications in the development of boron-containing drugs.

Is Ethyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate (CAS: 346656-34-6) safe?

Ethyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate (CAS: 346656-34-6) is relatively safe when handled with proper precautions. It should be kept away from skin and eyes, and appropriate protective clothing should be worn. Storage should be in a secure, dry environment to prevent accidental contact.

How should Ethyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate (CAS: 346656-34-6) be stored?

Ethyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate should be stored in a cool, dry place, protected from moisture and light. It should be kept in a tightly sealed container to prevent degradation. Storage temperature should not exceed 25°C to ensure stability.