2-Acetyl-6-methoxynaphthalene - CAS 3900-45-6
Catalog: |
BB023821 |
Product Name: |
2-Acetyl-6-methoxynaphthalene |
CAS: |
3900-45-6 |
Synonyms: |
1-(6-methoxynaphthalen-2-yl)ethanone |
IUPAC Name: | 1-(6-methoxynaphthalen-2-yl)ethanone |
Description: | A metabolite of Naproxen, which is a non-selective COX inhibitor. |
Molecular Weight: | 200.23 |
Molecular Formula: | C13H12O2 |
Canonical SMILES: | CC(=O)C1=CC2=C(C=C1)C=C(C=C2)OC |
InChI: | InChI=1S/C13H12O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-8H,1-2H3 |
InChI Key: | GGWCZBGAIGGTDA-UHFFFAOYSA-N |
Boiling Point: | 155-160 ℃ / 0.4 mmHg |
Purity: | 97 % |
Density: | 1.118 g/cm3 |
Appearance: | White to off-white solid |
MDL: | MFCD00021643 |
LogP: | 3.05100 |
GHS Hazard Statement: | H315 (97.73%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113292409-A | Method for separating high-purity 2-methyl-6-acylnaphthalene and 2-methyl-7-acylnaphthalene and application of rectification in method | 20210521 |
CN-112645828-A | Method for synthesizing acrylyl lead (Acrylodan) and analogue | 20201207 |
CN-111978204-A | Preparation method of naproxen intermediate | 20200902 |
CN-111499555-A | Two-photon fluorescence labeling probe, synthetic method thereof and application of new coronavirus diagnosis | 20200509 |
US-2021187884-A1 | Liquid crystal polymer film and laminate comprising the same | 20191223 |
PMID | Publication Date | Title | Journal |
21750890 | 20111101 | Chemiluminescence of the reaction system Ce(IV)-non-steroidal anti-inflammatory drugs containing europium(III) ions and its application to the determination of naproxen in pharmaceutical preparations and urine | Journal of fluorescence |
20004093 | 20100401 | Biodegradation of the analgesic naproxen by Trametes versicolor and identification of intermediates using HPLC-DAD-MS and NMR | Bioresource technology |
12899998 | 20030808 | Simultaneous determination of naproxen and related compounds by HPLC using porous graphitic carbon column | Journal of pharmaceutical and biomedical analysis |
11983513 | 20020701 | Enantioselective hydrolysis of naproxen ethyl ester catalyzed by monoclonal antibodies | Bioorganic & medicinal chemistry |
11277256 | 20010301 | High-performance liquid chromatographic method development and validation for the simultaneous quantitation of naproxen sodium and pseudoephedrine hydrochloride impurities | Journal of chromatographic science |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.083729621 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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