4-(Methoxycarbonyl)benzylboronic Acid Pinacol Ester - CAS 150033-80-0
Catalog: |
BB010479 |
Product Name: |
4-(Methoxycarbonyl)benzylboronic Acid Pinacol Ester |
CAS: |
150033-80-0 |
Synonyms: |
4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzoic acid methyl ester; methyl 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzoate |
IUPAC Name: | methyl 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzoate |
Description: | 4-(Methoxycarbonyl)benzylboronic Acid Pinacol Ester (CAS# 150033-80-0) is a useful research chemical. |
Molecular Weight: | 276.14 |
Molecular Formula: | C15H21O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)CC2=CC=C(C=C2)C(=O)OC |
InChI: | InChI=1S/C15H21BO4/c1-14(2)15(3,4)20-16(19-14)10-11-6-8-12(9-7-11)13(17)18-5/h6-9H,10H2,1-5H3 |
InChI Key: | QMZVNHRBNWDLTE-UHFFFAOYSA-N |
LogP: | 0.00000 |
Publication Number | Title | Priority Date |
CN-110790661-A | Method for converting benzyl borate compounds into phenylacetic acid and derivatives thereof by using carbon dioxide | 20191029 |
Complexity: | 343 |
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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