1-Boc-6-oxo-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester - CAS 1345469-26-2
Catalog: |
BB007956 |
Product Name: |
1-Boc-6-oxo-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester |
CAS: |
1345469-26-2 |
Synonyms: |
6-oxo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyridine-1-carboxylic acid tert-butyl ester; tert-butyl 6-oxo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyridine-1-carboxylate |
IUPAC Name: | tert-butyl 6-oxo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyridine-1-carboxylate |
Description: | 1-Boc-6-oxo-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester (CAS# 1345469-26-2 ) is a useful research chemical. |
Molecular Weight: | 323.19 |
Molecular Formula: | C16H26NO5B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=O)N(CC2)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C16H26BNO5/c1-14(2,3)21-13(20)18-9-8-11(10-12(18)19)17-22-15(4,5)16(6,7)23-17/h10H,8-9H2,1-7H3 |
InChI Key: | GJEFRVPIVCXFQI-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
GHS Hazard Statement: | H302 (100%): 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 |
EP-3490983-A1 | Dimethoxyphenyl substituted indole compounds as tlr7, tlr8 or tlr9 inhibitors | 20160730 |
WO-2018026620-A1 | Dimethoxyphenyl substituted indole compounds as tlr7, tlr8 or tlr9 inhibitors | 20160730 |
AU-2017307208-B2 | Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors | 20160730 |
EP-3490983-B1 | Dimethoxyphenyl substituted indole compounds as tlr7, tlr8 or tlr9 inhibitors | 20160730 |
US-2021292300-A1 | Dimethoxyphenyl substituted indole compounds as tlr7, tlr8 or tlr9 inhibitors | 20160730 |
Complexity: | 531 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 323.1904031 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 323.1904031 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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