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Acetoacetanilide

CAS No.:
102-01-2
Catalog Number:
AG00068C
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG00068C
Chemical Name:
Acetoacetanilide
CAS Number:
102-01-2
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD00008780
IUPAC Name:
3-oxo-N-phenylbutanamide
InChI:
InChI=1S/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)
InChI Key:
DYRDKSSFIWVSNM-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)CC(=O)C
EC Number:
202-996-4
UNII:
W35JB9PY3X
NSC Number:
2656
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Optical, elemental and structural analyses of acetoacetanilide single crystals for nonlinear optical applications. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120701
FeCl3⋅6H2O-catalyzed intermolecular-cascade cyclization of acetoacetanilide: aldehyde-tuned synthesis to valuable 2-pyridone analogues. Chemistry (Weinheim an der Bergstrasse, Germany) 20120213
Regiospecific β-lactam ring-opening/recyclization reactions of N-aryl-3-spirocyclic-β-lactams catalyzed by a Lewis-Brønsted acids combined superacid catalyst system: a new entry to 3-spirocyclicquinolin-4(1H)-ones. Chemical communications (Cambridge, England) 20120118
2-[2-(2-Carb-oxy-phen-yl)hydrazinyl-idene]-3-oxo-N-phenyl-butyramide. Acta crystallographica. Section E, Structure reports online 20111201
The ligational behavior of an isatinic quinolyl hydrazone towards copper(II)- ions. Chemistry Central journal 20110101
Massive screening yields novel and selective Trypanosoma cruzi triosephosphate isomerase dimer-interface-irreversible inhibitors with anti-trypanosomal activity. European journal of medicinal chemistry 20101201
Acetoacetanilides as masked isocyanates: facile and efficient synthesis of unsymmetrically substituted ureas. Organic letters 20101001
Formaldehyde in the indoor environment. Chemical reviews 20100414
N-(3,4-Dichloro-phen-yl)-3-oxo-butanamide. Acta crystallographica. Section E, Structure reports online 20100101
Mononuclear Ru(III) Schiff base complexes: synthesis, spectral, redox, catalytic and biological activity studies. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090401
Synthesis and antimicrobial activity of some new pyrazole, fused pyrazolo[3,4-d]-pyrimidine and pyrazolo[4,3-e][1,2,4]-triazolo[1,5-c]pyrimidine derivatives. Molecules (Basel, Switzerland) 20080729
Simple fluorimetric method for quantification of sialic acids in glycoproteins. Analytical biochemistry 20080401
Syntheses of 1,3-imidazolin-2-ones and 1,3-imidazolin-2-thiones from new building blocks, gamma-aminoacetoacetanilides. Journal of combinatorial chemistry 20080101
Knorr cyclizations and distonic superelectrophiles. The Journal of organic chemistry 20071207
Spectroscopic, and thermal studies of some new binuclear transition metal(II) complexes with hydrazone ligands containing acetoacetanilide and isoxazole. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20071101
Synthesis, spectral, catalytic and antimicrobial studies of PPh3/AsPh3 complexes of Ru(II) with dibasic tridentate O, N, S donor ligands. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070901
Flow-injection spectrofluorometric determination of trace amounts of formaldehyde in water after derivatization with acetoacetanilide. Talanta 20070731
Development of novel reagent for Hantzsch reaction for the determination of formaldehyde by spectrophotometry and fluorometry. Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20070401
Selective electrochemical sensor for copper (II) ion based on chelating ionophores. Analytica chimica acta 20060804
Synthesis, characterization, and antifungal studies of transition metal complexes of omega-bromoacetoacetanilide isonicotinylhydrazone. Applied biochemistry and biotechnology 20040101
Metal-induced cyclization of thiosemicarbazones derived from beta-keto amides and beta-keto esters: open-chain and cyclized ligands in zinc(II) complexes. Inorganic chemistry 20020325
Properties