2-[(Boc-amino)methyl]phenylboronic Acid Pinacol Ester - CAS 905300-76-7
Catalog: |
BB039875 |
Product Name: |
2-[(Boc-amino)methyl]phenylboronic Acid Pinacol Ester |
CAS: |
905300-76-7 |
Synonyms: |
N-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamic acid tert-butyl ester; tert-butyl N-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate |
IUPAC Name: | tert-butyl N-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate |
Description: | 2-[(Boc-amino)methyl]phenylboronic Acid Pinacol Ester (CAS# 905300-76-7) is a useful research chemical. |
Molecular Weight: | 333.23 |
Molecular Formula: | C18H28NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CNC(=O)OC(C)(C)C |
InChI: | InChI=1S/C18H28BNO4/c1-16(2,3)22-15(21)20-12-13-10-8-9-11-14(13)19-23-17(4,5)18(6,7)24-19/h8-11H,12H2,1-7H3,(H,20,21) |
InChI Key: | SUTPCHZGPJIFEN-UHFFFAOYSA-N |
LogP: | 3.40140 |
Publication Number | Title | Priority Date |
US-2019233394-A1 | Pharmaceutical compounds | 20160726 |
US-11053213-B2 | Pharmaceutical compounds | 20160726 |
US-10377748-B2 | Hepatitis B core protein modulators | 20150915 |
AU-2014302365-A1 | Primary carboxamides as BTK inhibitors | 20130626 |
AU-2014302365-B2 | Primary carboxamides as BTK inhibitors | 20130626 |
Complexity: | 442 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 333.2111385 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 333.2111385 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 56.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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