(2E)-3-(Dimethylamino)-1-(2-methoxyphenyl) Prop-2-en-1-one - CAS 195813-59-3

Name: (2E)-3-(Dimethylamino)-1-(2-methoxyphenyl) Prop-2-en-1-one
Brand: BOC Sciences
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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

Technical Data

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:	29.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2