1-Acetyl-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester - CAS 1227068-67-8
Catalog: |
BB005463 |
Product Name: |
1-Acetyl-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester |
CAS: |
1227068-67-8 |
Synonyms: |
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone; 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone |
IUPAC Name: | 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone |
Description: | 1-Acetyl-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester (CAS# 1227068-67-8) is a useful research chemical. |
Molecular Weight: | 251.13 |
Molecular Formula: | C13H22NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)C(=O)C |
InChI: | InChI=1S/C13H22BNO3/c1-10(16)15-8-6-11(7-9-15)14-17-12(2,3)13(4,5)18-14/h6H,7-9H2,1-5H3 |
InChI Key: | RENBVEOCTVQABH-UHFFFAOYSA-N |
MDL: | MFCD18427628 |
LogP: | 1.73430 |
Publication Number | Title | Priority Date |
WO-2021129621-A1 | Pyrazole compounds | 20191223 |
WO-2021021893-A1 | Compounds for use in treating neurological disorders | 20190729 |
US-2020360353-A1 | Macrocyclic azolopyridine derivatives as eed and prc2 modulators | 20190315 |
TW-202102495-A | Macrocyclic azolopyridine derivatives as eed and prc2 modulators | 20190315 |
US-10973805-B2 | Macrocyclic azolopyridine derivatives as EED and PRC2 modulators | 20190315 |
Complexity: | 374 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.1692737 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.1692737 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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