6-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester - CAS 910462-31-6
Catalog: |
BB040030 |
Product Name: |
6-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester |
CAS: |
910462-31-6 |
Synonyms: |
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamic acid tert-butyl ester; tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate |
IUPAC Name: | tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate |
Description: | 6-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester (CAS# 910462-31-6) is a useful research chemical. |
Molecular Weight: | 320.19 |
Molecular Formula: | C16H25N2O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C16H25BN2O4/c1-14(2,3)21-13(20)19-12-9-8-11(10-18-12)17-22-15(4,5)16(6,7)23-17/h8-10H,1-7H3,(H,18,19,20) |
InChI Key: | USZVCDRKIVKICD-UHFFFAOYSA-N |
Boiling Point: | 394.5 °C at 760 mmHg |
Density: | 1.1 g/cm3 |
MDL: | MFCD07781162 |
LogP: | 2.80080 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210020072-A | Novel compounds for diagnosis | 20180608 |
US-2021252175-A1 | Novel compounds for diagnosis | 20180608 |
AU-2017231781-A1 | Bicyclic compounds for diagnosis and therapy | 20160311 |
US-2019071450-A1 | Bicyclic compounds for diagnosis and therapy | 20160311 |
US-2020299305-A1 | Bicyclic compounds for diagnosis and therapy | 20160311 |
Complexity: | 432 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 320.1907374 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 320.1907374 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 69.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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