3-(2-Hydroxy-2-propyl)phenylboronic Acid Pinacol Ester - CAS 1309980-11-7
Catalog: |
BB007217 |
Product Name: |
3-(2-Hydroxy-2-propyl)phenylboronic Acid Pinacol Ester |
CAS: |
1309980-11-7 |
Synonyms: |
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-propanol; 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol |
IUPAC Name: | 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol |
Description: | 3-(2-Hydroxy-2-propyl)phenylboronic Acid Pinacol Ester (CAS# 1309980-11-7) is a useful research chemical. |
Molecular Weight: | 262.15 |
Molecular Formula: | C15H23O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(C)(C)O |
InChI: | InChI=1S/C15H23BO3/c1-13(2,17)11-8-7-9-12(10-11)16-18-14(3,4)15(5,6)19-16/h7-10,17H,1-6H3 |
InChI Key: | NNPQWBXXZHNLAW-UHFFFAOYSA-N |
Melting Point: | 64-69 °C |
Flash Point: | Not applicable |
Purity: | 97 % |
MDL: | MFCD12405017 |
LogP: | 2.21320 |
Publication Number | Title | Priority Date |
US-2021214366-A1 | Bicyclic heterocycles as fgfr inhibitors | 20200115 |
WO-2020182666-A1 | Small molecule modulators of il-17 | 20190308 |
AU-2015271837-A1 | Tank-binding kinase inhibitor compounds | 20140603 |
AU-2015271837-B2 | Tank-binding kinase inhibitor compounds | 20140603 |
EA-031757-B1 | TANK-BINDING KINAZ INHIBITING COMPOUNDS | 20140603 |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.1740248 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.1740248 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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