3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-boronic Acid Pinacol Ester - CAS 1219130-57-0
Catalog: |
BB005295 |
Product Name: |
3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-boronic Acid Pinacol Ester |
CAS: |
1219130-57-0 |
Synonyms: |
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one; 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 7-(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-7-boronic Acid Pinacol Ester (CAS# 1219130-57-0) is a useful research chemical. |
Molecular Weight: | 275.11 |
Molecular Formula: | C14H18NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=O)CO3 |
InChI: | InChI=1S/C14H18BNO4/c1-13(2)14(3,4)20-15(19-13)9-5-6-10-11(7-9)18-8-12(17)16-10/h5-7H,8H2,1-4H3,(H,16,17) |
InChI Key: | SUGHRPQPOYIUBL-UHFFFAOYSA-N |
Appearance: | Pale-yellow to yellow-brown solid |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
LogP: | 1.40180 |
Publication Number | Title | Priority Date |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
US-10995086-B2 | Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
US-2021317110-A1 | Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
EP-3277689-A1 | Heterocyclic compounds as lsd1 inhibitors | 20150403 |
EP-3277689-B1 | Heterocyclic compounds as lsd1 inhibitors | 20150403 |
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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