5-Acetyl-2-thienylboronic Acid - CAS 206551-43-1
Catalog: |
BB016135 |
Product Name: |
5-Acetyl-2-thienylboronic Acid |
CAS: |
206551-43-1 |
Synonyms: |
(5-acetyl-2-thiophenyl)boronic acid; (5-acetylthiophen-2-yl)boronic acid |
IUPAC Name: | (5-acetylthiophen-2-yl)boronic acid |
Description: | Reactant for:Bioreduction by alcohol dehydrogenasePreparation of highly fluorescent photochromic dyes by photocyclization reactionsSuzuki-Miyaura cross-couplings. |
Molecular Weight: | 169.99 |
Molecular Formula: | C6H7O3SB |
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 |
MDL: | MFCD01075681 |
LogP: | -0.36950 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
Publication Number | Title | Priority Date |
CN-111381458-A | Photoresist cleaning solution | 20181227 |
CN-111381459-A | Photoresist cleaning solution | 20181227 |
WO-2020121261-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
US-2020223827-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
CN-113330001-A | 3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same | 20181214 |
PMID | Publication Date | Title | Journal |
19731939 | 20091008 | Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors | Journal of medicinal chemistry |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0208954 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0208954 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 85.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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