3-(Ethoxycarbonyl)-2-methylphenylboronic Acid Pinacol Ester - CAS 1198615-87-0
Catalog: |
BB004674 |
Product Name: |
3-(Ethoxycarbonyl)-2-methylphenylboronic Acid Pinacol Ester |
CAS: |
1198615-87-0 |
Synonyms: |
2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid ethyl ester; ethyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
IUPAC Name: | ethyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
Description: | 3-(Ethoxycarbonyl)-2-methylphenylboronic Acid Pinacol Ester (CAS# 1198615-87-0 ) is a useful research chemical. |
Molecular Weight: | 290.16 |
Molecular Formula: | C16H23O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)C(=O)OCC)C |
InChI: | InChI=1S/C16H23BO4/c1-7-19-14(18)12-9-8-10-13(11(12)2)17-20-15(3,4)16(5,6)21-17/h8-10H,7H2,1-6H3 |
InChI Key: | JZZPYKYHYBXWEP-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.47090 |
Publication Number | Title | Priority Date |
US-2010022601-A1 | Sulfonamide compounds and the use | 20080605 |
US-8039514-B2 | Sulfonamide compounds and use thereof | 20080605 |
Complexity: | 378 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 290.1689394 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 290.1689394 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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