3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-boronic Acid Pinacol Ester - CAS 1551418-99-5
Catalog: |
BB011094 |
Product Name: |
3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-boronic Acid Pinacol Ester |
CAS: |
1551418-99-5 |
Synonyms: |
8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one; 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one |
Description: | 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-boronic Acid Pinacol Ester (CAS# 1551418-99-5 ) is a useful research chemical. |
Molecular Weight: | 275.11 |
Molecular Formula: | C14H18NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)NC(=O)CO3 |
InChI: | InChI=1S/C14H18BNO4/c1-13(2)14(3,4)20-15(19-13)9-6-5-7-10-12(9)18-8-11(17)16-10/h5-7H,8H2,1-4H3,(H,16,17) |
InChI Key: | GIYGTMCBAFSBRI-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2015153683-A1 | Anti-fibrotic pyridinones | 20140402 |
US-2016368872-A1 | Compounds and methods for treating cancers | 20130314 |
WO-2014153055-A2 | Compounds and methods for treating cancers | 20130314 |
US-2014094456-A1 | Anti-fibrotic pyridinones | 20121002 |
US-2014107110-A1 | Anti-fibrotic pyridinones | 20121002 |
Complexity: | 396 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.1328882 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.1328882 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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