3,4-Dihydro-2H-1,4-benzoxazine-6-boronic Acid Pinacol Ester - CAS 1155264-46-2
Catalog: |
BB003580 |
Product Name: |
3,4-Dihydro-2H-1,4-benzoxazine-6-boronic Acid Pinacol Ester |
CAS: |
1155264-46-2 |
Synonyms: |
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine; 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine |
IUPAC Name: | 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine |
Description: | 3,4-Dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazine acts as a reagent in the preparation of thieno[2,3-b]pyridine and thieno[3,2-b]pyridine derivatives that functions as HIV integrase inhibitor for treatment of HIV infection. |
Molecular Weight: | 261.12 |
Molecular Formula: | C14H20NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OCCN3 |
InChI: | InChI=1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)10-5-6-12-11(9-10)16-7-8-17-12/h5-6,9,16H,7-8H2,1-4H3 |
InChI Key: | HFUHUNYUUCDCAU-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 1.92810 |
Publication Number | Title | Priority Date |
WO-2019238067-A1 | Pyrrolo [2, 3-b] pyridines or pyrrolo [2, 3-b] pyrazines as hpk1 inhibitor and the use thereof | 20180613 |
TW-202016109-A | Pyrrolo[2,3-B]pyridine or pyrrolo[2,3-B]pyrazine as an HPK1 inhibitor and uses thereof | 20180613 |
CN-112243439-A | Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof | 20180613 |
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 |
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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