N-Boc-1,2,5,6-tetrahydropyridine-3-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C16H28NO4B
Molecular Weight
309.21
Description
N-Boc-1,2,5,6-tetrahydropyridine-3-boronic Acid Pinacol Ester (CAS# 885693-20-9) is a useful research chemical.
Synonyms
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester; tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
IUPAC Name
tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCCN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17/h9H,8,10-11H2,1-7H3
InChI Key
KEEIJBAOTMNSEN-UHFFFAOYSA-N
Boiling Point
348.007 °C at 760 mmHg
Flash Point
Not applicable
Purity
95 %
Density
1.05 g/cm3
Appearance
Solid
LogP
3.12290
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
309.2111385 g/mol
Monoisotopic Mass
309.2111385 g/mol
Topological Polar Surface Area
48Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
463
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2022032019-A1 | Btk inhibitors | 2020-08-07 |
| WO-2022026892-A1 | Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers | 2020-07-31 |
| WO-2022015957-A1 | Compounds and compositions for treating conditions associated with sting activity | 2020-07-15 |
| WO-2021247859-A1 | Pyridopyrimidines and methods of their use | 2020-06-03 |
| WO-2021247748-A1 | Kinase inhibitors | 2020-06-02 |
| WO-2021207549-A1 | Kinase inhibitors | 2020-04-10 |
| US-2022009920-A1 | Kinase inhibitors | 2020-04-10 |
| CN-113493490-A | Synthetic peptide amide compound and application thereof in medical field | 2020-04-03 |
| WO-2021197283-A1 | Synthetic peptide amide compound and its use in the field of medicine | 2020-04-03 |
| CN-113493439-A | Substituted acrylamide derivative, composition and application thereof | 2020-03-20 |
