3,4-Dihydro-2H-1,4-benzoxazine-7-boronic Acid Pinacol Ester - CAS 1361110-64-6
Catalog: |
BB008302 |
Product Name: |
3,4-Dihydro-2H-1,4-benzoxazine-7-boronic Acid Pinacol Ester |
CAS: |
1361110-64-6 |
Synonyms: |
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine; 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine |
IUPAC Name: | 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine |
Description: | 3,4-Dihydro-2H-1,4-benzoxazine-7-boronic Acid Pinacol Ester (CAS# 1361110-64-6) is a useful intermediate for the synthesis of naphthamides which functions as VEGFR-2 kinase inhibitors for cancer treatment. |
Molecular Weight: | 261.12 |
Molecular Formula: | C14H20NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NCCO3 |
InChI: | InChI=1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)10-5-6-11-12(9-10)17-8-7-16-11/h5-6,9,16H,7-8H2,1-4H3 |
InChI Key: | AUGHRUKXHXNOCW-UHFFFAOYSA-N |
LogP: | 1.92810 |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.1536237 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.1536237 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 39.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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