5-Acetyl-2-thienylboronic Acid
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
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
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
170.0208954 g/mol
Monoisotopic Mass
170.0208954 g/mol
Topological Polar Surface Area
85.8Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
162
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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 |
