Benzothiophene-3-boronic acid

Inquiry

Molecular Formula:

C8H7BO2S

Molecular Weight:

178.01

CAS Number:

113893-08-6

Catalog Number:

113893-08-6

Product Information

Molecular Formula:

C8H7BO2S

Molecular Weight:

178.01

Description

Benzo[b]thien-3-ylboronic acid can be used:• To prepare thienyl substituted pyrimidine derivatives as potent antimycobacterial compounds.• To prepare 3-O-protected 17-heteroaryl-3-hydroxyestra-1,3,5,16-tetraene-16-carbaldehyde, which in turn is used for the synthesis of heteroarenes-annelated estranes.• As a substrate in the study of metal-free coupling reactions of allylic alcohols with heteroaryl boronic acids.• As a starting material for the preparation of thienyl based quinoline and pyridine ligands, which are further used to synthesize platinum complexes.

Synonyms

AKOS BRN-0283; 1-BENZOTHIOPHEN-3-YLBORONIC ACID; BENZO[B]THIOPHENE-3-BORONIC ACID; BENZOTHIOPHENE-3-BORONIC ACID; ASDI-INTER 500027787; THIANAPHTHENE-3-BORONIC ACID

IUPAC Name

1-benzothiophen-3-ylboronic acid

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

Boiling Point

390.2°C at 760mmHg

Melting Point

188-189°C

Flash Point

Not applicable

Purity

98%

Density

1.35g/cm3

Appearance

White to off-white to faint red solid or powder

Safety Information

Precautionary Statement

P302+P352-P332+P313-P362+P364-P305+P351+P338-P337+P313

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

178.0259808 g/mol

Monoisotopic Mass

178.0259808 g/mol

Topological Polar Surface Area

68.7Å²

Heavy Atom Count

Formal Charge

Complexity

165

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-114181217-A	Pyrazolo [1,5-a ] [1,3,5] triazine derivative and salt thereof and application of derivative and salt thereof in preparation of anti-cancer drugs	2022-01-10
CN-114014847-A	Benzothiophene pyrimidine derivative, preparation method thereof and application thereof in preparation of antitumor drugs	2021-12-08
US-2021403449-A1	Biphenyl diaryl pyrimidine derivative with aromatic heterocyclic structure	2021-03-08
CN-112574242-A	Preparation method of benzo-heterocycle-3-boric acid	2020-12-10
CN-112266387-A	Benzophenanthrene derivative and application thereof	2020-10-29
WO-2022026892-A1	Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers	2020-07-31
KR-20210147877-A	Compound and organic light emitting device comprising same	2020-05-29
KR-20210148552-A	Compound and organic light emitting device comprising same	2020-05-29
KR-20210148556-A	Compound and organic light emitting device comprising same	2020-05-29
WO-2021241882-A1	Compound and organic light-emitting device comprising same	2020-05-29

Literatures

PMID	Publication Date	Title	Journal
17868073	2007-10-01	Synthesis and evaluation of dual wavelength fluorescent benzo[b]thiophene boronic acid derivatives for sugar sensing	Chemical biology & drug design

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