(2E)-3-(Dimethylamino)-1-(2-methoxyphenyl) Prop-2-en-1-one - CAS 195813-59-3
Catalog: |
BB055982 |
Product Name: |
(2E)-3-(Dimethylamino)-1-(2-methoxyphenyl) Prop-2-en-1-one |
CAS: |
195813-59-3 |
Synonyms: |
(2E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one; (E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one; (2E)-3-(Dimethylamino)-1-(2-methoxyphenyl)-prop-2-en-1-one |
IUPAC Name: | (E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one |
Description: | (2E)-3-(Dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one is used as a reactant in preparation of Dihydroimidazopyrimidinamines via reaction of phenylpyrimidinamines with Trifluoro Acetic acid and Benzaldehyde. It is also used as a reactant in Synthesis of Isoflavones by Tandem Demethylation and Ring- Opening /Cyclization of Methoxybenzoylbenzofurans. |
Molecular Weight: | 205.25 |
Molecular Formula: | C12H15NO2 |
Canonical SMILES: | CN(C)C=CC(=O)C1=CC=CC=C1OC |
InChI: | InChI=1S/C12H15NO2/c1-13(2)9-8-11(14)10-6-4-5-7-12(10)15-3/h4-9H,1-3H3/b9-8+ |
InChI Key: | WKNJWYUQADHZSM-CMDGGOBGSA-N |
References: | Ramade, K., et al. World News of Natural Sci., 37, 92(2021); Kunyane, P., et al.:J. of Natural Prod., 82, 11, 3074(2019). |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 205.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.110278721 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 29.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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