5,6-Dimethoxy-1-indanone - CAS 2107-69-9
Catalog: |
BB016589 |
Product Name: |
5,6-Dimethoxy-1-indanone |
CAS: |
2107-69-9 |
Synonyms: |
5,6-dimethoxy-2,3-dihydroinden-1-one; 5,6-dimethoxy-2,3-dihydroinden-1-one |
Application: |
An intermediate useful in the preparation of Donepezil. |
IUPAC Name: | 5,6-dimethoxy-2,3-dihydroinden-1-one |
Description: | An intermediate useful in the preparation of Donepezil. |
Molecular Weight: | 192.21 |
Molecular Formula: | C11H12O3 |
Canonical SMILES: | COC1=C(C=C2C(=C1)CCC2=O)OC |
InChI: | InChI=1S/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H3 |
InChI Key: | IHMQOBPGHZFGLC-UHFFFAOYSA-N |
Boiling Point: | 339.7 ℃ at 760 mmHg |
Melting Point: | 118-120 ℃ |
Purity: | > 95 % |
Density: | 1.179 g/cm3 |
Appearance: | Off-white to pale yellow solid |
MDL: | MFCD00003790 |
LogP: | 1.83270 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112961086-A | 2-methylene-1-indanone derivative and synthesis method thereof | 20210205 |
CN-111499560-A | Method for purifying donepezil hydrochloride key intermediate compound | 20200504 |
CN-111265524-A | Compositions containing mixtures of indene or indane derivatives and uses thereof | 20200204 |
CN-112641773-A | Composition containing heterocyclic compound and use thereof | 20200108 |
CN-111100062-A | Synthesis method of donepezil hydrochloride | 20191230 |
PMID | Publication Date | Title | Journal |
22885176 | 20121009 | Antiviral activity against the hepatitis C virus (HCV) of 1-indanone thiosemicarbazones and their inclusion complexes with hydroxypropyl-β-cyclodextrin | European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences |
21587524 | 20100911 | (2E)-2-Benzyl-idene-5,6-dimethoxy-indan-1-one | Acta crystallographica. Section E, Structure reports online |
19747834 | 20091001 | Thienylhalomethylketones: Irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools | Bioorganic & medicinal chemistry |
21577822 | 20090905 | Methyl 5,6-dimeth-oxy-1H-indole-2-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
18465019 | 20080501 | Photochemical synthesis of substituted indan-1-ones related to donepezil | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.078644241 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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