What is the molecular formula of 4-Methoxy-3-methylbenzeneboronic acid?

The molecular formula is C8H11BO3.

What is the molecular weight of 4-Methoxy-3-methylbenzeneboronic acid?

The molecular weight is 165.98 g/mol.

What is the IUPAC name of 4-Methoxy-3-methylbenzeneboronic acid?

The IUPAC name is (4-methoxy-3-methylphenyl)boronic acid.

What is the InChI of 4-Methoxy-3-methylbenzeneboronic acid?

The InChI is InChI=1S/C8H11BO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5,10-11H,1-2H3.

What is the InChIKey of 4-Methoxy-3-methylbenzeneboronic acid?

The InChIKey is PXVDQGVAZBTFIB-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Methoxy-3-methylbenzeneboronic acid?

The canonical SMILES is B(C1=CC(=C(C=C1)OC)C)(O)O.

What is the hydrogens bond donor count of 4-Methoxy-3-methylbenzeneboronic acid?

The hydrogen bond donor count is 2.

Is 4-Methoxy-3-methylbenzeneboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.

NAVIGATION

Products

4-Methoxy-3-methylbenzeneboronic acid

Name: 4-Methoxy-3-methylbenzeneboronic acid
SKU: ACM175883622-1
Rating: 5 (1 reviews)

PRICE INQUIRY

Catalog NumberACM175883622-1

CAS Number175883-62-2

CategorySalt

Synonyms

4-Methoxy-3-methylphenylboronic acid, 595500_ALDRICH, MolPort-000-931-584, CID2773487, (4-methoxy-3-methyl-phenyl)boronic Acid, BBV-15967422, M122, TL80073577, I01-3301, 175883-62-2

IUPAC Name

(4-methoxy-3-methylphenyl)boronic acid

Molecular Weight

165.98

Molecular Formula

C₈H₁₁BO₃

Canonical SMILES

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

InChI Key

PXVDQGVAZBTFIB-UHFFFAOYSA-N

Boiling Point

321.4ºC at 760mmHg

Melting Point

205-210ºC(lit.)

Flash Point

148.2ºC

Purity

98%

Density

1.14g/cm³

Application

4-Methoxy-3-methylbenzeneboronic acid is a versatile reagent used in various chemical syntheses. Its primary purpose lies in facilitating the preparation of hydroxyphenylnaphthols, which serve as inhibitors of 17β-hydroxysteroid dehydrogenase Type 2. Moreover, it plays a crucial role in the synthesis of bioactive combretastatin analogs through regioselective Suzuki coupling, a pivotal reaction in medicinal chemistry. Additionally, this compound is utilized in the copper-mediated cyanation for the preparation of aromatic nitriles, expanding its applicability in organic synthesis. Yet another significant application is its involvement in the rhodium-catalyzed allylic arylation of meso cyclopentene dicarbonates, which showcases its utility in complex organic transformations. Furthermore, it aids in the Lewis acid-assisted asymmetric allylic substitution of butenediyl carbonates using a rhodium catalyst, highlighting its importance in asymmetric synthesis procedures.

Exact Mass

166.08000

Hazard Statements

Xi: Irritant;

Safety Description

S26-S36

WGK Germany

If you have any other questions or need other size, please get a quote.