7-Methoxy-1-tetralone - CAS 6836-19-7
Catalog: |
BB033538 |
Product Name: |
7-Methoxy-1-tetralone |
CAS: |
6836-19-7 |
Synonyms: |
1(2H)-Naphthalenone, 3,4-dihydro-7-methoxy-; 3,4-Dihydro-7-methoxy-1(2H)-naphthalenone; 7-Methoxy-1,2,3,4-tetrahydro-1-naphthalenone; 7-Methoxy-1,2,3,4-tetrahydro-1-oxonaphthalene; 7-Methoxy-3,4-dihydro-1(2H)-naphthalenone; 7-Methoxy-α-tetralone; 7-Methoxytetralin-1-one; 7-Methoxytetralone; NSC 97611 |
IUPAC Name: | 7-methoxy-3,4-dihydro-2H-naphthalen-1-one |
Description: | 7-Methoxy-1-tetralone is an impurity of Agomelatine, which is a melatoninergic agonist and selective antagonist of 5-HT2C receptors. |
Molecular Weight: | 176.21 |
Molecular Formula: | C11H12O2 |
Canonical SMILES: | COC1=CC2=C(CCCC2=O)C=C1 |
InChI: | InChI=1S/C11H12O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7H,2-4H2,1H3 |
InChI Key: | GABLTKRIYDNDIN-UHFFFAOYSA-N |
Boiling Point: | 140°C at 0.1 Torr |
Melting Point: | 67-68°C |
Purity: | 98.0% |
Density: | 1.124±0.06 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
Appearance: | Yellow to Brown Solid |
Storage: | Store at -20°C |
MDL: | MFCD00001696 |
LogP: | 2.21420 |
Publication Number | Title | Priority Date |
CN-112592342-A | Preparation method of butorphanol acyclic butyl impurity compound | 20210115 |
CN-113121626-A | Macrolide compound, synthesis method, pharmaceutical composition and application thereof | 20200110 |
WO-2021097139-A1 | Chiral synthesis of a tertiary alcohol | 20191115 |
CN-112574066-A | Preparation method of agomelatine intermediate | 20190927 |
WO-2020212543-A1 | Compounds for optically active devices | 20190418 |
PMID | Publication Date | Title | Journal |
21837050 | 20110701 | 7-Meth-oxy-3,4-dihydro-naphthalen-1(2H)-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.083729621 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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