3-Acetylindole - CAS 703-80-0
Catalog: |
BB034143 |
Product Name: |
3-Acetylindole |
CAS: |
703-80-0 |
Synonyms: |
Ethanone, 1-(1H-indol-3-yl)-; 1-(1H-Indol-3-yl)ethan-1-one; 3-Acetyl-1H-indole; 3-Indolyl Methyl Ketone; NSC 47180; NSC 58084 |
Related CAS: | 343332-28-5 (Deleted CAS)
|
IUPAC Name: | 1-(1H-indol-3-yl)ethanone |
Description: | 3-Acetylindole is a natural product found in Strychnos cathayensis. 3-Acetylindole can be used as an anti-fungal agent. |
Molecular Weight: | 159.18 |
Molecular Formula: | C10H9NO |
Canonical SMILES: | CC(=O)C1=CNC2=CC=CC=C21 |
InChI: | InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3 |
InChI Key: | VUIMBZIZZFSQEE-UHFFFAOYSA-N |
Boiling Point: | 333.9±15.0°C at 760 mmHg |
Melting Point: | 192.3°C |
Purity: | ≥95% |
Density: | 1.193±0.06 g/cm3 |
Appearance: | White to Light Yellow Liquid |
MDL: | MFCD00005626 |
LogP: | 2.37050 |
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-113185503-A | Natural product Pimpirinine derivative and preparation method and application thereof | 20210412 |
CN-113185509-A | Compound containing indole ring structure, preparation method and application thereof, and bactericide | 20200417 |
WO-2021138392-A1 | Aminopyrimidine compounds | 20191230 |
CN-110698383-A | Structure, synthesis and application of benzil hydrazone-3-acetyl indole | 20191113 |
US-2021115038-A1 | Malic enzyme inhibitors | 20191017 |
PMID | Publication Date | Title | Journal |
22495470 | 20120514 | Synthesis of carbazolones and 3-acetylindoles via oxidative C-N bond formation through PIFA-mediated annulation of 2-aryl enaminones | Organic & biomolecular chemistry |
21341727 | 20110318 | Thionations using a P4S10-pyridine complex in solvents such as acetonitrile and dimethyl sulfone | The Journal of organic chemistry |
21057946 | 20110301 | Characterization of cytochrome P450 monooxygenase CYP154H1 from the thermophilic soil bacterium Thermobifida fusca | Applied microbiology and biotechnology |
21048349 | 20101101 | Synthesis and antiviral activity of new indole-based heterocycles | Chemical & pharmaceutical bulletin |
20488700 | 20100615 | Anti HIV-1 agents 5: synthesis and anti-HIV-1 activity of some N-arylsulfonyl-3-acetylindoles in vitro | Bioorganic & medicinal chemistry letters |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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