3-(2-Methoxy-2-oxoethyl)phenylboronic Acid Pinacol Ester - CAS 478375-42-7
Catalog: |
BB026410 |
Product Name: |
3-(2-Methoxy-2-oxoethyl)phenylboronic Acid Pinacol Ester |
CAS: |
478375-42-7 |
Synonyms: |
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid methyl ester; methyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate |
IUPAC Name: | methyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate |
Description: | 3-(2-Methoxy-2-oxoethyl)phenylboronic Acid Pinacol Ester (CAS# 478375-42-7) is a useful research chemical. |
Molecular Weight: | 276.14 |
Molecular Formula: | C15H21O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC(=O)OC |
InChI: | InChI=1S/C15H21BO4/c1-14(2)15(3,4)20-16(19-14)12-8-6-7-11(9-12)10-13(17)18-5/h6-9H,10H2,1-5H3 |
InChI Key: | BLPDNEGFSINGPV-UHFFFAOYSA-N |
Boiling Point: | 372.043 ℃ at 760 mmHg |
Density: | 1.075 g/cm3 |
LogP: | 1.70130 |
Publication Number | Title | Priority Date |
WO-2018188660-A1 | Brd4 inhibitor, preparation and application thereof | 20170413 |
US-2016176864-A1 | Novel tricyclic compounds as anticancer agents | 20141223 |
US-9458156-B2 | Tricyclic compounds as anticancer agents | 20141223 |
EA-032469-B1 | NEW TRICYCLIC CONNECTIONS AS ANTICATIVE AGENTS | 20131224 |
EP-3087071-B1 | Tricyclic compounds as anticancer agents | 20131224 |
Complexity: | 351 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.1532893 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.1532893 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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