Ethyl 2-[(4-methoxyphenyl)amino]acetate - CAS 50845-77-7

Catalog:	BB065634
Product Name:	Ethyl 2-[(4-methoxyphenyl)amino]acetate
CAS:	50845-77-7
Synonyms:	Ethyl N-(4-Methoxyphenyl)glycinate; Ethyl p-Anisidinoacetate; N-(4-Methoxyphenyl)glycine Ethyl Ester; N-(p-Methoxyphenyl)glycine Ethyl Ester

Technical Data

IUPAC Name:	ethyl 2-(4-methoxyanilino)acetate
Description:	Ethyl 2-[(4-methoxyphenyl)amino]acetate is widely used as a reactant in the preparation of amino acid derivatives via copper-catalyzed cross-dehydrogenative coupling of ketones with glycine derivatives.
Molecular Weight:	209.24
Molecular Formula:	C11H15NO3
Canonical SMILES:	CCOC(=O)CNC1=CC=C(C=C1)OC
InChI:	InChI=1S/C11H15NO3/c1-3-15-11(13)8-12-9-4-6-10(14-2)7-5-9/h4-7,12H,3,8H2,1-2H3
InChI Key:	TZJRPKDPYLAMJZ-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance:	Very Dark Brown Solid
Storage:	4°C
References:	Xie, J., Huang, Z. Angew. Chem. Int. Ed., 49, 10181 (2010); Zhang, G., et al. Angew. Chem. Int. Ed., 50, 10429 (2011).

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.10519334
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	209.10519334
Rotatable Bond Count:	6
Topological Polar Surface Area:	47.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2