3,5-Dimethylisoxazole-4-boronic Acid
Product Information
Molecular Formula
C5H8NO3B
Molecular Weight
140.93
Description
3,5-Dimethylisoxazole-4-boronic Acid (CAS# 16114-47-9) is a useful research chemical.
Synonyms
(3,5-dimethyl-4-isoxazolyl)boronic acid; (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid
IUPAC Name
(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid
SMILES
B(C1=C(ON=C1C)C)(O)O
InChI
InChI=1S/C5H8BNO3/c1-3-5(6(8)9)4(2)10-7-3/h8-9H,1-2H3
InChI Key
DIIFZCPZIRQDIJ-UHFFFAOYSA-N
Boiling Point
334 °C at 760 mmHg
Melting Point
82-86 °C
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.23 g/cm3
Storage
2-8 °C
LogP
-1.02880
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
1
Exact Mass
141.0597233 g/mol
Monoisotopic Mass
141.0597233 g/mol
Topological Polar Surface Area
66.5Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
122
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-113929674-A | Compound containing 1, 4-dihydroquinazoline structure and preparation method and application thereof | 2021-11-22 |
| CN-114014890-A | Compound with RIP2 kinase inhibitory activity, pharmaceutical composition containing same, and application thereof | 2021-03-12 |
| WO-2021253098-A1 | Amido compounds | 2020-06-19 |
| CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| WO-2021238587-A1 | Micromolecular oxathiazine derivative and use thereof | 2020-05-29 |
| WO-2021239743-A1 | Il-17a modulators | 2020-05-27 |
| WO-2021239745-A1 | Il-17a modulators | 2020-05-27 |
| WO-2021224864-A1 | Non-lysosomal glucosylceramidase inhibitors and uses thereof | 2020-05-07 |
| CN-111499644-A | Imidazo [1,5-a ] quinazoline-5 (4H) -ketone derivative and preparation method and application thereof | 2020-04-24 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21936546 | 2011-11-04 | Synthesis of functionalized cinnamaldehyde derivatives by an oxidative Heck reaction and their use as starting materials for preparation of Mycobacterium tuberculosis 1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitors | The Journal of organic chemistry |
| 21851057 | 2011-10-13 | 3,5-dimethylisoxazoles act as acetyl-lysine-mimetic bromodomain ligands | Journal of medicinal chemistry |
| 4737 | 1976-04-29 | Bifurcated hydrogen bonds and flip--flop conformation in a modified nucleic acid base, gc6 Ade | Nature |
