CAS 113893-08-6 Benzo[b]thien-3-ylboronic acid

NAVIGATION

Benzo[b]thien-3-ylboronic acid

PRICE INQUIRY

Catalog Number

ACM113893086-2

CAS Number

113893-08-6

Product Name

Benzo[b]thien-3-ylboronic acid

Structure

Category

Salt

Synonyms

Thianaphthene-3-boronic acid

IUPAC Name

1-benzothiophen-3-ylboronic acid

Molecular Weight

178.02g/mol

Molecular Formula

C8H7BO2S

Canonical SMILES

B(C1=CSC2=CC=CC=C12)(O)O

InChI

InChI=1S/C8H7BO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H

InChI Key

QVANIYYVZZLQJP-UHFFFAOYSA-N

Melting Point

225-230 °C

Appearance

Solid

Application

Benzo[b]thien-3-ylboronic acid serves as a versatile compound with various applications, including the preparation of thienyl substituted pyrimidine derivatives known for their potent antimycobacterial properties. It is employed in synthesizing 3-O-protected 17-heteroaryl-3-hydroxyestra-1,3,5,16-tetraene-16-carbaldehyde, which is a precursor for creating heteroarenes-annelated estranes. Furthermore, this compound acts as a substrate in the investigation of metal-free coupling reactions with allylic alcohols and heteroaryl boronic acids. Additionally, benzo[b]thien-3-ylboronic acid is a starting material for producing thienyl-based quinoline and pyridine ligands, which are crucial for synthesizing platinum complexes.

Complexity

165

Covalently-Bonded Unit Count

Exact Mass

178.025981g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

178.025981g/mol

Rotatable Bond Count

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