5-ISOPROPYL-2-METHOXYBENZENEBORONIC ACID

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Molecular Formula:

C10H15BO3

Molecular Weight:

194.04

CAS Number:

216393-63-4

Catalog Number:

216393-63-4

Product Information

Molecular Formula:

C10H15BO3

Molecular Weight:

194.04

Description

Reactant involved in the synthesis of many biologically active molecules including:• Oxazolidinones for use as cholesteryl ester transfer protein inhibitors for atherosclerosis treatment• Selective quinazolinyl-phenol inhibitors of CHK1 as antitumor and radioprotectants• Biaryl-containing carbamates as CETP inhibitors• α -Sulfone hydroxamates as MMP inhibitorsReactant involved in Suzuki-Miyaura cross coupling with 2-nitroarenediazonium tetrafluoroborate for synthesis of 2-nitrobiphenyls

Synonyms

RARECHEM AH PB 0083; 5-ISOPROPYL-2-METHOXYBENZENEBORONIC ACID; 5-ISOPROPYL-2-METHOXYPHENYLBORONIC ACID; AKOS BRN-0316; 5-ISOPROPYL-2-METHOXYBENZENEBORONIC ACID, 98+%

IUPAC Name

(2-methoxy-5-propan-2-ylphenyl)boronic acid

Canonical SMILES

B(C1=C(C=CC(=C1)C(C)C)OC)(O)O

InChI

InChI=1S/C10H15BO3/c1-7(2)8-4-5-10(14-3)9(6-8)11(12)13/h4-7,12-13H,1-3H3

InChI Key

UTKAEAGLVJFBMK-UHFFFAOYSA-N

Boiling Point

350°C at 760mmHg

Melting Point

85-87°C

Flash Point

Not applicable

Purity

95%

Density

1.08g/cm3

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

194.1114245 g/mol

Monoisotopic Mass

194.1114245 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

173

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

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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5-ISOPROPYL-2-METHOXYBENZENEBORONIC ACID

Product Information

Computed Properties

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