4-(Methoxymethylamino)-4-oxobutanoic Acid - CAS 1156151-44-8

Catalog:	BB059970
Product Name:	4-(Methoxymethylamino)-4-oxobutanoic Acid
CAS:	1156151-44-8
Synonyms:	4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOIC ACID; 4-(Methoxymethylamino)-4-oxobutanoic Acid; 4-[methoxy(methyl)amino]-4-oxobutanoic acid; 4-(Methylmethoxyamino)-4-oxobutyric acid

Technical Data

IUPAC Name:	4-[methoxy(methyl)amino]-4-oxobutanoic acid
Description:	4-(Methoxymethylamino)-4-oxobutanoic Acid is an efficient reagent in the one pot synthesis of benzimidazoles and benzothiazoles.
Molecular Weight:	161.16
Molecular Formula:	C6H11NO4
Canonical SMILES:	CN(C(=O)CCC(=O)O)OC
InChI:	InChI=1S/C6H11NO4/c1-7(11-2)5(8)3-4-6(9)10/h3-4H2,1-2H3,(H,9,10)
InChI Key:	LTSSMLPKCUSFMA-UHFFFAOYSA-N
Solubility:	Dichloromethane; Ethyl Acetate
Appearance:	White Solid
References:	Bommegowda, Y., et al. Tetrahedron. Lett., 54, 2693 (2013).

Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.06880783
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.06880783
Rotatable Bond Count:	4
Topological Polar Surface Area:	66.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8