4-Propoxyphenylboronic Acid

Inquiry

Molecular Formula:

C9H13O3B

Molecular Weight:

180.01

CAS Number:

186497-67-6

Catalog Number:

186497-67-6

Product Information

Molecular Formula:

C9H13O3B

Molecular Weight:

180.01

Description

Reactant for: Synthesis of obovatol derivatives as anti-platelet activity; Suzuki-Miyaura reaction with chloro arenes using (phenylphosphine)palladium catalyst; Preparation of bisaryl substituted thiazoles and oxazoles as selective peroxisome proliferator-activated receptor δ (PPARδ) agonists; Selective BACE1 inhibitors using regioselective Suzuki coupling; Preparation of dichroic fluorescent benzothiadiazole dyes.

Synonyms

(4-propoxyphenyl)boronic acid; (4-propoxyphenyl)boronic acid

IUPAC Name

(4-propoxyphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C9H13BO3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6,11-12H,2,7H2,1H3

InChI Key

SOKFEJKZYHYKSY-UHFFFAOYSA-N

Boiling Point

329.6 °C at 760 mmHg

Melting Point

123-126 °C (lit.)

Density

1.1 g/cm³

LogP

0.15520

Safety Information

Precautionary Statement

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

180.0957744 g/mol

Monoisotopic Mass

180.0957744 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

133

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
CN-111559990-A	Micromolecular oxathiazine derivative and application thereof	2020-05-29
CN-111559990-B	Micromolecular oxathiazine derivative and application thereof	2020-05-29
WO-2021238587-A1	Micromolecular oxathiazine derivative and use thereof	2020-05-29
EP-3878891-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	2020-03-10
WO-2021180795-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	2020-03-10
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	2019-12-24
WO-2021019051-A1	Inhibitors of human atgl	2019-07-30
CA-3147471-A1	Inhibitors of human atgl	2019-07-30
JP-2020125460-A	Method for producing stereoregular substituted polyacetylene having a substituent at the terminal	2019-01-31
KR-20200045430-A	Novel terphenyl-baseed amphiphiles and uses thereof	2018-10-22

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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