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

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

Inquiry

Molecular Formula:

C15H21BO5

Molecular Weight:

292.14

CAS Number:

811841-45-9

Catalog Number:

811841-45-9

Product Information

Molecular Formula:

C15H21BO5

Molecular Weight:

292.14

Description

2-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL ACETATE has demonstrated potential in drug development against a variety of diseases including arthritis, asthma, and allergic symptoms.

Synonyms

2-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL ACETATE; 4-ACETOXY-3-METHOXYPHENYLBORONIC ACID, PINACOL ESTER

IUPAC Name

[2-methoxy-4-(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(=C(C=C2)OC(=O)C)OC

InChI

InChI=1S/C15H21BO5/c1-10(17)19-12-8-7-11(9-13(12)18-6)16-20-14(2,3)15(4,5)21-16/h7-9H,1-6H3

InChI Key

SQWMSVLBTLTANH-UHFFFAOYSA-N

Melting Point

132-136 °C (lit.)

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

292.1482039 g/mol

Monoisotopic Mass

292.1482039 g/mol

Topological Polar Surface Area

54Å²

Heavy Atom Count

Formal Charge

Complexity

380

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-2017152271-A1	Gak modulators as antivirals	2014-07-23
US-9822127-B2	GAK modulators as antivirals	2014-07-23
WO-2016012536-A1	Gak modulators as antivirals	2014-07-23
EP-3016958-A1	Novel gak modulators	2013-07-05
US-2016122364-A1	Novel gak modulators	2013-07-05
US-9518066-B2	GAK modulators	2013-07-05
WO-2015001076-A1	Novel gak modulators	2013-07-05
US-2012149693-A1	Therapeutic compounds	2009-05-05
US-2015315127-A1	Therapeutic compounds	2009-05-05
US-9024071-B2	Therapeutic compounds	2009-05-05

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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

Product Information

Computed Properties

Patents

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