3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-ylboronic Acid Pinacol Ester - CAS 1220696-32-1
Catalog: |
BB072773 |
Product Name: |
3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-ylboronic Acid Pinacol Ester |
CAS: |
1220696-32-1 |
Synonyms: |
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazol-2(3H)-one; 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-one; 3-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3H-benzooxazol-2-one |
IUPAC Name: | 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-one |
Description: | 3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-ylboronic Acid Pinacol Ester is a useful research chemical commonly used in the preparation of inhibitor derivatives. |
Molecular Weight: | 275.1 |
Molecular Formula: | C14H18BNO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC(=O)N3C |
InChI: | InChI=1S/C14H18BNO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-11-10(8-9)16(5)12(17)18-11/h6-8H,1-5H3 |
InChI Key: | VXXBZTDHBOGQDX-UHFFFAOYSA-N |
Melting Point: | 110 - 113°C |
Solubility: | Chloroform (Slightly), DMSO (Slightly) |
Appearance: | Pale Beige to Pale Brown Solid |
Storage: | -20°C, Inert atmosphere |
References: | Grundl, M., et al. PCT Int. Appl., 134 (2013); Loenn, H., et al.:PCT Int. Appl., 118 (2015). |
Complexity: | 409 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.1328882 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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