2,3-Cyclopentenopyridine - CAS 533-37-9
Catalog: |
BB028155 |
Product Name: |
2,3-Cyclopentenopyridine |
CAS: |
533-37-9 |
Synonyms: |
6,7-dihydro-5H-cyclopenta[b]pyridine |
IUPAC Name: | 6,7-dihydro-5H-cyclopenta[b]pyridine |
Description: | 2,3-Cyclopentenopyridine (CAS# 533-37-9) is used as reactant/reagent for ruthenium-mediated dual catalytic reactions of isoquinoline via C-H activation and dearomatization for isoquinolone. |
Molecular Weight: | 119.16 |
Molecular Formula: | C8H9N |
Canonical SMILES: | C1CC2=C(C1)N=CC=C2 |
InChI: | InChI=1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H2 |
InChI Key: | KRNSYSYRLQDHDK-UHFFFAOYSA-N |
Boiling Point: | 108-110 ℃ (66 mmHg) |
Purity: | 95 % |
Density: | 1.018 g/cm3 |
Appearance: | Clear colorless to brownish liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
LogP: | 1.57030 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127039-A1 | Combinations | 20191220 |
WO-2021127044-A1 | Combinations | 20191220 |
WO-2021127045-A1 | Combinations | 20191220 |
WO-2021127047-A1 | Combinations | 20191220 |
WO-2021083246-A1 | Modifier of four-membered ring derivative, preparation method and application thereof | 20191029 |
PMID | Publication Date | Title | Journal |
18262834 | 20081115 | Raman and infrared spectra, ab initio and DFT calculations, and vibrational assignments for 2,3-cyclopentenopyridine | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 119.073499291 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 119.073499291 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Pyridines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS