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4-(1-(hydroxymethyl)cyclopropyl)phenylboronic acid

4-(1-(hydroxymethyl)cyclopropyl)phenylboronic acid

Inquiry

Molecular Formula:

C10H13BO3

Molecular Weight:

192.02

Product Information

Molecular Formula:

C10H13BO3

Molecular Weight:

192.02

Description

4-(1-(hydroxymethyl)cyclopropyl)phenylboronic acid is a key intermediate compound used in the biomedical industry. It plays a crucial role in the development of drugs to treat various diseases. This product serves as a building block in the synthesis of novel pharmaceutical compounds targeting cancer, diabetes, and autoimmune disorders. Its unique structure enables the modification of drug molecules, enhancing their binding affinity and therapeutic efficacy.

Synonyms

(4-(1-(Hydroxymethyl)cyclopropyl)phenyl)boronic acid; [4-[1-(hydroxymethyl)cyclopropyl]phenyl]boronic acid; (4-(1-(Hydroxymethyl)cyclopropyl)-phenyl)boronic acid; {4-[1-(Hydroxymethyl)cyclopropyl]phenyl}boronic acid; (4-(1-(Hydroxymethyl)cyclopropyl)phenyl)boronicacid; 4-(1-(hydroxymethyl)cyclopropyl)phenylboronic acid

IUPAC Name

[4-[1-(hydroxymethyl)cyclopropyl]phenyl]boronic acid

Canonical SMILES

B(C1=CC=C(C=C1)C2(CC2)CO)(O)O

InChI

InChI=1S/C10H13BO3/c12-7-10(5-6-10)8-1-3-9(4-2-8)11(13)14/h1-4,12-14H,5-7H2

InChI Key

RSZPBFYCGLSBAF-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H318

Precautionary Statement

P280 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

192.0957744 g/mol

Monoisotopic Mass

192.0957744 g/mol

Topological Polar Surface Area

60.7Å²

Heavy Atom Count

Formal Charge

Complexity

196

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
WO-2019138107-A1	Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase	2018-01-15
CA-3087807-A1	Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase	2018-01-15
CN-111601810-A	Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase	2018-01-15
EP-3740493-A1	Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase	2018-01-15
US-2020405696-A1	Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase	2018-01-15
JP-2021510706-A	Indoleamine 2,3-dioxygenase and / or tryptophan 2,3-dioxygenase inhibitor	2018-01-15
EP-3740493-B1	Inhibteurs de l'indoleamine 2,3-dioxygÃ©nase et/ou du tryptophane dioxygÃ©nase	2018-01-15
AU-2018276611-A1	Method for predicting therapeutic effect of LSD1 inhibitor based on expression of INSM1	2017-05-31
EP-3633380-A1	Method for predicting therapeutic effect of lsd1 inhibitor based on expression of insm1	2017-05-31
JP-WO2018221555-A1	Method for predicting therapeutic effect of LSD1 inhibitor based on expression of INSM1	2017-05-31

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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