2,2-Dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester - CAS 1650548-32-5
Catalog: |
BB012163 |
Product Name: |
2,2-Dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester |
CAS: |
1650548-32-5 |
Synonyms: |
(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)boronic acid; (2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)boronic acid |
IUPAC Name: | 2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one |
Description: | 2,2-Dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester (CAS# 1650548-32-5 ) is a useful research chemical. |
Molecular Weight: | 303.16 |
Molecular Formula: | C16H22NO4B |
Canonical SMILES: | B(C1=CC2=C(C=C1)OC(C(=O)N2)(C)C)(O)O |
InChI: | InChI=1S/C10H12BNO4/c1-10(2)9(13)12-7-5-6(11(14)15)3-4-8(7)16-10/h3-5,14-15H,1-2H3,(H,12,13) |
InChI Key: | YXCLOMVQWARTIR-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
TW-202003508-A | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
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 |
AU-2014296184-A1 | Syk inhibitors | 20130731 |
Complexity: | 461 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 303.1641883 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 303.1641883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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