Tri-tert-butyl borate

Inquiry

Molecular Formula:

[(CH3)3CO]3B

Molecular Weight:

230.15

CAS Number:

7397-43-5

Catalog Number:

7397-43-5

Product Information

Molecular Formula:

[(CH3)3CO]3B

Molecular Weight:

230.15

Description

Tri-tert-butyl borate is an indispensable reagent employed in the synthesis of diverse biomedicinal compounds. It exhibits an exceptional configuration rendering it exceptionally suitable for fabricating boron-infused pharmaceuticals. The latter, exhibiting encouraging prospects in combatting select malignancies, notably prostate and breast cancer, owe their efficacy to the aforementioned substance's invaluable contributions. Furthermore, Tri-tert-butyl borate serves as a crucial catalyst in generating pharmaceutical intermediates, thus facilitating the innovation of pioneering therapeutic interventions targeting an array of pathological conditions.

Synonyms

Boron tert-butoxide, Tri-tert-butoxyborane

IUPAC Name

tritert-butyl borate

Canonical SMILES

B(OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C

InChI

InChI=1S/C12H27BO3/c1-10(2,3)14-13(15-11(4,5)6)16-12(7,8)9/h1-9H3

InChI Key

ZMCWFMOZBTXGKI-UHFFFAOYSA-N

Boiling Point

101 °C/74 mmHg (lit.)

Melting Point

18-19 °C (lit.)

Flash Point

84.2 °F - closed cup

Purity

98%

Density

0.811 g/mL at 25 °C (lit.)

Refractive Index

n20/D 1.389 (lit.)

Safety Information

Hazards

H226

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

230.2053249 g/mol

Monoisotopic Mass

230.2053249 g/mol

Topological Polar Surface Area

27.7Å²

Heavy Atom Count

Formal Charge

Complexity

170

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

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CN-112442058-A	Preparation method of pentafluorophenylboronic acid	2020-12-04
CN-114122259-A	Perovskite thin-film solar cell and preparation method thereof	2020-08-29

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