5,6-Dihydrocyclopenta[b]pyridin-7-one - CAS 31170-78-2
Catalog: |
BB020819 |
Product Name: |
5,6-Dihydrocyclopenta[b]pyridin-7-one |
CAS: |
31170-78-2 |
Synonyms: |
5,6-dihydrocyclopenta[b]pyridin-7-one; 5,6-dihydrocyclopenta[b]pyridin-7-one |
IUPAC Name: | 5,6-dihydrocyclopenta[b]pyridin-7-one |
Description: | 5,6-Dihydrocyclopenta[b]pyridin-7-one (CAS# 31170-78-2) is an intermediate for the synthesis of pharmaceutical and biological compounds. It can be used for synthesis of new propargylated 1-pyrindane derivatives as Rasagiline (R126000) analogues, used as an antiparkinsonian agent. |
Molecular Weight: | 133.15 |
Molecular Formula: | C8H7NO |
Canonical SMILES: | C1CC(=O)C2=C1C=CC=N2 |
InChI: | InChI=1S/C8H7NO/c10-7-4-3-6-2-1-5-9-8(6)7/h1-2,5H,3-4H2 |
InChI Key: | ZULJQRMXUOTWBU-UHFFFAOYSA-N |
Boiling Point: | 267.379 ℃ at 760 mmHg |
Density: | 1.23 g/cm3 |
Appearance: | Gray powder |
MDL: | MFCD07778341 |
LogP: | 1.21050 |
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 |
CN-112979650-A | Organic compound and organic electroluminescent device containing the same | 20191218 |
CN-110964018-A | Indole derivative and application thereof | 20191203 |
WO-2021097139-A1 | Chiral synthesis of a tertiary alcohol | 20191115 |
WO-2020239999-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
US-2021300918-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 133.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 133.052763847 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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