4-(4-Tetrahydropyranyl)phenylboronic Acid Pinacol Ester - CAS 1312479-26-7
Catalog: |
BB007275 |
Product Name: |
4-(4-Tetrahydropyranyl)phenylboronic Acid Pinacol Ester |
CAS: |
1312479-26-7 |
Synonyms: |
4,4,5,5-tetramethyl-2-[4-(4-oxanyl)phenyl]-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-[4-(oxan-4-yl)phenyl]-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-[4-(oxan-4-yl)phenyl]-1,3,2-dioxaborolane |
Description: | 4-(4-Tetrahydropyranyl)phenylboronic Acid Pinacol Ester (CAS# 1312479-26-7) is a building block. |
Molecular Weight: | 288.19 |
Molecular Formula: | C17H25O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3CCOCC3 |
InChI: | InChI=1S/C17H25BO3/c1-16(2)17(3,4)21-18(20-16)15-7-5-13(6-8-15)14-9-11-19-12-10-14/h5-8,14H,9-12H2,1-4H3 |
InChI Key: | DMLXOYKSKYTGKQ-UHFFFAOYSA-N |
LogP: | 2.87980 |
Publication Number | Title | Priority Date |
US-10562865-B2 | Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
US-2019308944-A1 | Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
WO-2019180644-A1 | Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
AU-2019237342-A1 | Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
Complexity: | 339 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.1896748 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.1896748 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 27.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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