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959-66-0

959-66-0 Structure

959-66-0 Structure
IdentificationMore
[Name]

2-BENZOYLACETANILIDE
[CAS]

959-66-0
[Synonyms]

2-BENZOYLACETANILIDE
2-BENZOYLACETOANILIDE
AKOS BBS-00000685
N-PHENYLACETAMIDE
3-oxo-3-phenylpropionanilide
Acetanilide BP/USP
2-Benzoylacetoanilide(alpha-]
2-Benzoylacetanilide, HPLC 98%
2-Benzoylacetanilide, 98 % (N-Phenylacetamide)
N,3-Diphenyl-3-oxopropionamide
N-Phenyl-β-oxobenzenepropanamide
[EINECS(EC#)]

203-150-7
[Molecular Formula]

C15H13NO2
[MDL Number]

MFCD00003084
[Molecular Weight]

239.27
[MOL File]

959-66-0.mol
Chemical PropertiesBack Directory
[Appearance]

light yellow powder
[Melting point ]

106-108 °C (lit.)
[Boiling point ]

473.6±28.0 °C(Predicted)
[density ]

1.205±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[solubility ]

acetone: soluble25mg/mL, clear, colorless to faintly yellow
[form ]

powder to crystal
[pka]

11.37±0.23(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C15H13NO2/c17-14(12-7-3-1-4-8-12)11-15(18)16-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)
[InChIKey]

XRZDIHADHZSFBB-UHFFFAOYSA-N
[SMILES]

C(NC1=CC=CC=C1)(=O)CC(=O)C1=CC=CC=C1
[CAS DataBase Reference]

959-66-0(CAS DataBase Reference)
Questions And AnswerBack Directory
[Uses]

Acetanilide can be used as a raw material for veterinary drugs (including fish drugs) to prepare intermediates chloroacetanilide and p-aminobenzenesulfonamide, and further to produce drugs such as "sulfadimethoxypyrimidine", "sulfamonomethoxypyrimidine", "sulfamethoxypyridazine", "sulfathiazole", "sulfamethylpyrimidine", and "sulfamethoxythiazole".
[Application]

2-Benzoylacetanilide is a widely used acylation agent in organic synthesis, and it can also be used as an intermediate in pesticide production and as an analytical reagent. Although benzoylacetanilide has applications, there are very few reports in domestic literature on its synthesis. Therefore, researching the preparation method of 2-benzoylacetanilide has important industrial application value.
Safety DataBack Directory
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

2
[RTECS ]

AB4542950
[HS Code ]

2924.21.4500
[Storage Class]

13 - Non Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

4-Nitroaniline-->Sulfanilamide-->Alachlor-->Acetanilide-->4-Aminoacetophenone-->fluorescent brightener 311-->Pimobendan-->4-(4-Aminophenyl)butyric acid-->Methyl 4-(4-(bis(2-chloroethyl)amino)phenyl)butyrate-->Clonazepam-->Methyl 4-(4-(bis(2-hydroxyethyl)amino)phenyl)butyrate-->3-(4-Acetylaminobenzoyl)propanoic acid-->Benzenesulfinic acid-->2-Hydroxy-N-methyl-N-phenyl-acetamide-->3-oxo-3-phenyl-propanamide-->2-Chloro-3-oxo-n,3-diphenylpropanamide-->2,4-Dichloroacetanilide
Hazard InformationBack Directory
[Chemical Properties]

light yellow powder
[General Description]

2-Benzoylacetanilide reacts with [PtCl2(cod)] (cod=cyclo-octa-1,5-diene), cis-[PtCl2(PPh3)2] (PPh3= triphenylphosphine) and [PdCl2(bipy)] (bipy=2,2′-bipyridine) to yield metallalactam complexes.
[Synthesis]

In a 250mL four-necked flask equipped with a thermometer, add 40g of petroleum ether, 19.2g of ethyl benzoylacetate, 11.2g of aniline, and 0.5g of catalyst, install a condenser tube, turn on the stirrer, and raise the temperature to 120-130°C. The ethanol
Spectrum DetailBack Directory
[Spectrum Detail]

2-BENZOYLACETANILIDE(959-66-0)MS
2-BENZOYLACETANILIDE(959-66-0)1HNMR
2-BENZOYLACETANILIDE(959-66-0)13CNMR
2-BENZOYLACETANILIDE(959-66-0)IR1
2-BENZOYLACETANILIDE(959-66-0)IR2
2-BENZOYLACETANILIDE(959-66-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

959-66-0(sigmaaldrich)
[TCI AMERICA]

2-Benzoylacetanilide,>98.0%(N)(959-66-0)
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