7-Fluoro-3,4-dihydroquinolin-2(1H)-one - CAS 4590-52-7
Catalog: |
BB026012 |
Product Name: |
7-Fluoro-3,4-dihydroquinolin-2(1H)-one |
CAS: |
4590-52-7 |
Synonyms: |
7-fluoro-3,4-dihydro-1H-quinolin-2-one; 7-fluoro-3,4-dihydro-1H-quinolin-2-one |
IUPAC Name: | 7-fluoro-3,4-dihydro-1H-quinolin-2-one |
Description: | 7-Fluoro-3,4-dihydroquinolin-2(1H)-one (CAS# 4590-52-7) is a useful reagent in the multicomponent one-pot synthesis of 3,4-dihydroquinolinones. |
Molecular Weight: | 165.16 |
Molecular Formula: | C9H8FNO |
Canonical SMILES: | C1CC(=O)NC2=C1C=CC(=C2)F |
InChI: | InChI=1S/C9H8FNO/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1,3,5H,2,4H2,(H,11,12) |
InChI Key: | KUWDWKUKAVRBKW-UHFFFAOYSA-N |
Boiling Point: | 305.8 °C at 760 mmHg |
Density: | 1.241 g/cm3 |
MDL: | MFCD11811768 |
LogP: | 1.79550 |
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 |
WO-2021151062-A1 | Heterocyclic compounds and uses thereof | 20200124 |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
WO-2020028461-A1 | Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers | 20180731 |
AU-2019315444-A1 | Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers | 20180731 |
CN-112638881-A | Tetrahydroquinoline derivatives for the treatment of metastatic and chemotherapy-resistant cancers | 20180731 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.058992041 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.058992041 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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