3,5-Dimethylisoxazole-4-boronic Acid - CAS 16114-47-9
Catalog: |
BB011706 |
Product Name: |
3,5-Dimethylisoxazole-4-boronic Acid |
CAS: |
16114-47-9 |
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 |
Description: | 3,5-Dimethylisoxazole-4-boronic Acid (CAS# 16114-47-9) is a useful research chemical. |
Molecular Weight: | 140.93 |
Molecular Formula: | C5H8NO3B |
Canonical 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 |
MDL: | MFCD02677945 |
LogP: | -1.02880 |
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-111559990-A | Micromolecular oxathiazine derivative and application thereof | 20200529 |
CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 20200529 |
CN-111499644-A | Imidazo [1,5-a ] quinazoline-5 (4H) -ketone derivative and preparation method and application thereof | 20200424 |
CN-111499644-B | Imidazo [1,5-a ] quinazoline-5 (4H) -ketone derivative and preparation method and application thereof | 20200424 |
WO-2021156787-A1 | Heterocyclic compounds as dihydroorotate dehydrogenase inhibitors | 20200204 |
PMID | Publication Date | Title | Journal |
21936546 | 20111104 | 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 | 20111013 | 3,5-dimethylisoxazoles act as acetyl-lysine-mimetic bromodomain ligands | Journal of medicinal chemistry |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.0597233 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.0597233 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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