5-Acetyl-2-thienylboronic Acid

Inquiry

Molecular Formula:

C6H7O3SB

Molecular Weight:

169.99

CAS Number:

206551-43-1

Catalog Number:

206551-43-1

Product Information

Molecular Formula:

C6H7O3SB

Molecular Weight:

169.99

Description

Reactant for:Bioreduction by alcohol dehydrogenasePreparation of highly fluorescent photochromic dyes by photocyclization reactionsSuzuki-Miyaura cross-couplings.

Synonyms

(5-acetyl-2-thiophenyl)boronic acid; (5-acetylthiophen-2-yl)boronic acid

IUPAC Name

(5-acetylthiophen-2-yl)boronic acid

Canonical SMILES

B(C1=CC=C(S1)C(=O)C)(O)O

InChI

InChI=1S/C6H7BO3S/c1-4(8)5-2-3-6(11-5)7(9)10/h2-3,9-10H,1H3

InChI Key

DCNMATSPQKWETQ-UHFFFAOYSA-N

Boiling Point

399.3 °C at 760 mmHg

Melting Point

133-138 °C (lit.)

Density

1.34 g/cm³

Appearance

Solid

LogP

-0.36950

Safety Information

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

170.0208954 g/mol

Monoisotopic Mass

170.0208954 g/mol

Topological Polar Surface Area

85.8Å²

Heavy Atom Count

Formal Charge

Complexity

162

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-114149416-A	Dual-channel lipid drop fluorescent probe, preparation method and application thereof	2021-11-18
CN-111381458-A	Photoresist cleaning solution	2018-12-27
CN-111381459-A	Photoresist cleaning solution	2018-12-27
WO-2020121261-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	2018-12-14
US-2020223827-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	2018-12-14
AU-2019398910-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	2018-12-14
BR-112021010341-A2	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	2018-12-14
CN-113330001-A	3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same	2018-12-14
EP-3894398-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	2018-12-14
KR-20210092312-A	3,3-difluoroallylamine or salts thereof and pharmaceutical compositions comprising the same	2018-12-14

Literatures

PMID	Publication Date	Title	Journal
19731939	2009-10-08	Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors	Journal of medicinal chemistry

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