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102-01-2,MFCD00008780
Catalog No.:AA00065K
102-01-2 | Acetoacetanilide
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$14.00   $10.00
- +
25g
98%
in stock  
$22.00   $15.00
- +
100g
98%
in stock  
$57.00   $40.00
- +
500g
98%
in stock  
$215.00   $150.00
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00065K
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
Computed 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  

Synonyms
 
acetoacetanilide 
ACETOACETANILIDE 
N-Phenylacetoacetamide 
FT-0621767 
FT-0695963 
ST24028609 
ST45138008 
A800497 
I01-1980 
I01-7525 
W-108892 
Z56968279 
F0001-0065 
Acetoacetic acid anilide 
2-Acetyl-acetanilide; N-(Acetylacetyl)aniline; N-Phenyl-3-oxobutanamide; N-phenylacetoacetamide; AAA; AAN 
InChI=1/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13 
Actoactanilide 
acetoacetanilid- 
Butanamida, 3-oxo-N-fenil- 
C10H11NO2 
CID7592 
Acetoacetanilide, 99% - 1KG 1kg 
AR-1I2733 
C10-H11-N-O2 
N-(Acetylacetyl)aniline 
Acetoacetanilide 98% for synthesis 500gm 
6276-07-9 
98624-45-4 
AAA 
AAN 
Acetanilide, 2-acetyl- 
USAF EK-1239 
1-(Phenylcarbamoyl)-2-propanone 
beta-Ketobutyranilide 
Anilid kyseliny acetoctove 
UNII-W35JB9PY3X 
NSC 2656 
3-Oxo-N-phenylbutanamide 
((Acetoacetyl)amino)benzene 
alpha-Acetyl-N-phenylacetamide 
CCRIS 4534 
HSDB 2669 
.beta.-Ketobutyranilide 
Anilid kyseliny acetoctove [Czech] 
.alpha.-Acetylacetanilide 
EINECS 202-996-4 
3-oxo-N-phenyl-butanamide 
3-oxo-N-phenyl-butyramide 
102-01-2 
W35JB9PY3X 
Butanoic acid, 3-oxo-, amide, N-phenyl- 
AI3-00854 
.alpha.-Acetyl-N-phenylacetamide 
DYRDKSSFIWVSNM-UHFFFAOYSA-N 
MFCD00008780 
Acetoacetanilide, 99% 
DSSTox_CID_4397 
[(Acetoacetyl)amino]benzene 
DSSTox_RID_77388 
Butanamide, 3-oxo-N-phenyl- 
DSSTox_GSID_24397 
CAS-102-01-2 
coupler 633 
alpha-Acetylacetanilide 
Acetoacetonilide 
Acetoacet Anilide 
2-acetylacetanilide 
ACETOACETAILIDE 
Acetoacetylaminobenzene 
AC1Q5NAK 
Acetoacetic anilide 
3-Oxo-N-phenylbutyramide 
ACMC-1C3JQ 
N-Phenyl-3-ketobutanamide 
Acetoacetanilide, >=98% 
EC 202-996-4 
WLN: 1V1VMR 
SCHEMBL14914 
KSC174O4J 
Acetoacetanilide, >=99.5% 
AC1L1P44 
Acetoacetamidobenzene 
AC1Q1K34 
alpha-acetyl-N-phenyl-acetamide 
Butanamide, 3-oxo-N-phenyl-, labeled with carbon-14 
CHEMBL1604429 
DTXSID0024397 
CTK0H4744 
KS-00000FKZ 
NSC2656 
3-oxidanylidene-N-phenyl-butanamide 
BUTANAMIDE, 3-OXO-N-PHENYL 
Acetylacetanilide 
EBD11375 
NSC-2656 
ZINC3594588 
Tox21_201405 
Tox21_303279 
ANW-14576 
BBL013020 
LS-352 
SBB003774 
STK301287 
Acetoacetylaniline 
AKOS000119678 
MCULE-8887978901 
NE10609 
RL00103 
RTR-000483 
TRA0084392 
NCGC00091590-01 
NCGC00091590-02 
NCGC00091590-03 
NCGC00257189-01 
Acetoacetanilid 
NCGC00258956-01 
86349-51-1 
AJ-45071 
AK104968 
AN-24594 
CJ-10675 
AB1002511 
TR-000483 
A0046 
BB 0240786 
Literature

Title: Optical, elemental and structural analyses of acetoacetanilide single crystals for nonlinear optical applications.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120701

Title: FeCl3⋅6H2O-catalyzed intermolecular-cascade cyclization of acetoacetanilide: aldehyde-tuned synthesis to valuable 2-pyridone analogues.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20120213

Title: 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.

Journal: Chemical communications (Cambridge, England) 20120118

Title: 2-[2-(2-Carb-oxy-phen-yl)hydrazinyl-idene]-3-oxo-N-phenyl-butyramide.

Journal: Acta crystallographica. Section E, Structure reports online 20111201

Title: The ligational behavior of an isatinic quinolyl hydrazone towards copper(II)- ions.

Journal: Chemistry Central journal 20110101

Title: Massive screening yields novel and selective Trypanosoma cruzi triosephosphate isomerase dimer-interface-irreversible inhibitors with anti-trypanosomal activity.

Journal: European journal of medicinal chemistry 20101201

Title: Acetoacetanilides as masked isocyanates: facile and efficient synthesis of unsymmetrically substituted ureas.

Journal: Organic letters 20101001

Title: Formaldehyde in the indoor environment.

Journal: Chemical reviews 20100414

Title: N-(3,4-Dichloro-phen-yl)-3-oxo-butanamide.

Journal: Acta crystallographica. Section E, Structure reports online 20100101

Title: Mononuclear Ru(III) Schiff base complexes: synthesis, spectral, redox, catalytic and biological activity studies.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090401

Title: 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.

Journal: Molecules (Basel, Switzerland) 20080729

Title: Simple fluorimetric method for quantification of sialic acids in glycoproteins.

Journal: Analytical biochemistry 20080401

Title: Syntheses of 1,3-imidazolin-2-ones and 1,3-imidazolin-2-thiones from new building blocks, gamma-aminoacetoacetanilides.

Journal: Journal of combinatorial chemistry 20080101

Title: Knorr cyclizations and distonic superelectrophiles.

Journal: The Journal of organic chemistry 20071207

Title: Spectroscopic, and thermal studies of some new binuclear transition metal(II) complexes with hydrazone ligands containing acetoacetanilide and isoxazole.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20071101

Title: Synthesis, spectral, catalytic and antimicrobial studies of PPh3/AsPh3 complexes of Ru(II) with dibasic tridentate O, N, S donor ligands.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070901

Title: Flow-injection spectrofluorometric determination of trace amounts of formaldehyde in water after derivatization with acetoacetanilide.

Journal: Talanta 20070731

Title: Development of novel reagent for Hantzsch reaction for the determination of formaldehyde by spectrophotometry and fluorometry.

Journal: Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20070401

Title: Selective electrochemical sensor for copper (II) ion based on chelating ionophores.

Journal: Analytica chimica acta 20060804

Title: Synthesis, characterization, and antifungal studies of transition metal complexes of omega-bromoacetoacetanilide isonicotinylhydrazone.

Journal: Applied biochemistry and biotechnology 20040101

Title: Metal-induced cyclization of thiosemicarbazones derived from beta-keto amides and beta-keto esters: open-chain and cyclized ligands in zinc(II) complexes.

Journal: Inorganic chemistry 20020325

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