4-(N-Boc-N-methylaminomethyl)phenylboronic acid pinacol ester - CAS 936728-17-5
Catalog: |
BB072423 |
Product Name: |
4-(N-Boc-N-methylaminomethyl)phenylboronic acid pinacol ester |
CAS: |
936728-17-5 |
Synonyms: |
tert-butyl methyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)carbamate; 4-(N-Boc-N-methyl-aminomethyl)-phenylboronic acid pinacol ester; 4-(N-Boc-N-methylaminomethyl)phenylboronic acid pinacol ester; tert-butyl N-methyl-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate |
IUPAC Name: | tert-butyl N-methyl-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate |
Description: | 4-(N-Boc-N-methylaminomethyl)phenylboronic acid pinacol ester |
Molecular Weight: | 347.26 |
Molecular Formula: | C19H30BNO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN(C)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C19H30BNO4/c1-17(2,3)23-16(22)21(8)13-14-9-11-15(12-10-14)20-24-18(4,5)19(6,7)25-20/h9-12H,13H2,1-8H3 |
InChI Key: | MZFOCJORKNCEMQ-UHFFFAOYSA-N |
Complexity: | 462 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 347.2267886 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 347.2267886 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 48Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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