N,N-Dimethylacetoacetamide solution - CAS 2044-64-6

Name: N,N-Dimethylacetoacetamide solution
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015937
Product Name:	N,N-Dimethylacetoacetamide solution
CAS:	2044-64-6
Synonyms:	N,N-dimethyl-3-oxobutanamide

Technical Data

IUPAC Name:	N,N-dimethyl-3-oxobutanamide
Description:	N,N-Dimethylacetoacetamide solution (CAS# 2044-64-6) is used as a reactant in the asymmetric hydrogenation of functionalized ketones in presence of chiral bis(diphenylphosphino)binaphthyl ruthenium complex.
Molecular Weight:	129.16
Molecular Formula:	C6H11NO2
Canonical SMILES:	CC(=O)CC(=O)N(C)C
InChI:	InChI=1S/C6H11NO2/c1-5(8)4-6(9)7(2)3/h4H2,1-3H3
InChI Key:	YPEWWOUWRRQBAX-UHFFFAOYSA-N
Boiling Point:	208.7 °C at 760 mmHg
Melting Point:	-55 °C
Purity:	95 %
Density:	1.067 g/cm³
Appearance:	Clear, colorless to yellow liquid
MDL:	MFCD00038243
LogP:	0.05370

GHS Hazard Statement:	H315 (91.3%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Publication Number	Title	Priority Date
JP-6947259-B1	Positive electrode material for alkali metal ion batteries, positive electrode and alkali metal ion batteries	20200820
KR-102276178-B1	Composition using a polymer mixed resin, and the construction method using the composition	20200623
CA-3094581-A1	Positive electrode material for lithium ion secondary battery, positive electrode for lithium ion secondary battery, and lithium ion secondary battery	20200330
EP-3890068-A1	Positive electrode material for lithium ion secondary battery, positive electrode for lithium ion secondary battery, and lithium ion secondary battery	20200330
US-2021305571-A1	Positive electrode material for lithium ion secondary battery, positive electrode for lithium ion secondary battery, and lithium ion secondary battery	20200330

PMID	Publication Date	Title	Journal
21819270	20111101	Disposition and metabolism of N,N-dimethylacetoacetamide in male F344 and Wistar-Han rats and female B6C3F1 mice	Xenobiotica; the fate of foreign compounds in biological systems
19763314	20091007	Free radical reaction between 2-benzoyl-1,4-benzoquinones and 1,3-dicarbonyl compounds	Organic & biomolecular chemistry
19230978	20090401	DNA cleavage activity of V IV O(acac)2 and derivatives	Journal of inorganic biochemistry
12059211	20020619	Reduction of ketones and alkyl iodides by SmI(2) and Sm(II)-HMPA complexes. Rate and mechanistic studies	Journal of the American Chemical Society
12033865	20020605	Mechanistic study of beta-substituent effects on the mechanism of ketone reduction by SmI(2)	Journal of the American Chemical Society

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.078978594
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	129.078978594
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4