1,2,3,6-Tetrahydropyridine-4-boronic Acid Pinacol Ester Hydrochloride - CAS 1121057-75-7
Catalog: |
BB002871 |
Product Name: |
1,2,3,6-Tetrahydropyridine-4-boronic Acid Pinacol Ester Hydrochloride |
CAS: |
1121057-75-7 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride |
IUPAC Name: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride |
Description: | 1,2,3,6-Tetrahydropyridine-4-boronic Acid Pinacol Ester Hydrochloride (CAS# 1121057-75-7) is a useful synthetic intermediate. It was used in the synthesis of N-arylheterocycles as MCH antagonists. It can also be used as a reagent to prepare substituted imidazopyridine derivatives and analogs for use as antiviral agents. |
Molecular Weight: | 245.55 |
Molecular Formula: | C11H21ClNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CCNCC2.Cl |
InChI: | InChI=1S/C11H20BNO2.ClH/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;/h5,13H,6-8H2,1-4H3;1H |
InChI Key: | WNMYCAJTXUCHBQ-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD11506076 |
LogP: | 2.66830 |
Publication Number | Title | Priority Date |
WO-2020161162-A1 | Herbicidal pyridinium compounds | 20190206 |
WO-2020161163-A1 | Herbicidal compounds | 20190206 |
TW-202045006-A | Herbicidal compounds | 20190206 |
TW-202045009-A | Herbicidal compounds | 20190206 |
AU-2018317805-A1 | Novel compounds | 20170816 |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.1353868 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.1353868 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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