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3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL ACETATE

3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL ACETATE

Inquiry

Molecular Formula:

C14H19BO4

Molecular Weight:

262.11

CAS Number:

480424-69-9

Catalog Number:

480424-69-9

Product Information

Molecular Formula:

C14H19BO4

Molecular Weight:

262.11

Description

3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL ACETATE shows great potential in the development of therapeutic drugs for a variety of diseases, including cancer, inflammation and neurodegeneration disease.

Synonyms

3-ACETOXYPHENYLBORONIC ACID, PINACOL ESTER; 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL ACETATE; 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenylacetate,min.97%; 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL ACETATE, MIN. 97%

IUPAC Name

[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OC(=O)C

InChI

InChI=1S/C14H19BO4/c1-10(16)17-12-8-6-7-11(9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3

InChI Key

YJDMBSCTYDVXPH-UHFFFAOYSA-N

Melting Point

36-40 °C (lit.)

Flash Point

235.4 °F

Purity

97%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

262.1376392 g/mol

Monoisotopic Mass

262.1376392 g/mol

Topological Polar Surface Area

44.8Å²

Heavy Atom Count

Formal Charge

Complexity

337

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

Publication Number	Title	Priority Date
US-2015080412-A1	Triazolone compounds and uses thereof	2012-03-09
US-2012149693-A1	Therapeutic compounds	2009-05-05
US-2015315127-A1	Therapeutic compounds	2009-05-05
US-9024071-B2	Therapeutic compounds	2009-05-05
WO-2009082346-A1	New acetyl coenzyme a carboxylase (acc) inhibitors and uses in treatments of obesity and diabetes mellitus - 087	2007-12-21

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3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL ACETATE

Product Information

Computed Properties

Patents

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