ChemicalBook--->CAS DataBase List--->58161-35-6

58161-35-6

58161-35-6 Structure

58161-35-6 Structure
IdentificationBack Directory
[Name]

N1-(1-OXO-2,3-DIHYDRO-1H-INDEN-5-YL)ACETAMIDE
[CAS]

58161-35-6
[Synonyms]

SKL862
5-Acetamido-1-indanone
5-Acetylamino-1-indanone
N-(1-Oxo-indan-5-yl)-acetamide
N-(1-Oxo-2,3-dihydro-1H-inden-5-yl)
5-Acetamido-2,3-dihydro-1-oxo-1H-indene
N-(1-oxo-2,3-dihydroinden-5-yl)acetamide
N-(1-Oxo-2,3-dihydro-1H-inden-5-yl)acetamide
N-(2,3-dihydro-1-oxo-1H-inden-5-yl)acetamide
N1-(1-OXO-2,3-DIHYDRO-1H-INDEN-5-YL)ACETAMIDE
Acetamide, N-(2,3-dihydro-1-oxo-1H-inden-5-yl)-
N-(2,3-Dihydro-1-oxo-1H-inden-5-yl)acetamide, 5-(Acetylamino)-2,3-dihydro-1-oxo-1H-indene, 5-Acetamido-2,3-dihydro-1-oxo-1H-indene
[Molecular Formula]

C11H11NO2
[MDL Number]

MFCD00099465
[MOL File]

58161-35-6.mol
[Molecular Weight]

189.21
Chemical PropertiesBack Directory
[Melting point ]

172 °C
[Boiling point ]

427.4±34.0 °C(Predicted)
[density ]

1.277±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder
[pka]

14.53±0.20(Predicted)
[color ]

Yellow
[InChI]

InChI=1S/C11H11NO2/c1-7(13)12-9-3-4-10-8(6-9)2-5-11(10)14/h3-4,6H,2,5H2,1H3,(H,12,13)
[InChIKey]

GHUPGGYDRVSZSW-UHFFFAOYSA-N
[SMILES]

C(NC1C=CC2=C(C=1)CCC2=O)(=O)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H332
[Precautionary statements ]

P280
[Hazard Note ]

Harmful
[HS Code ]

2924297099
Hazard InformationBack Directory
[Definition]

ChEBI: N1-(1-oxo-2,3-dihydro-1H-inden-5-yl)acetamide is a member of indanones.
[Synthesis]

N1-(2,3-DIHYDRO-1H-INDEN-5-YL)ACETAMIDE

59856-06-3

N1-(1-OXO-2,3-DIHYDRO-1H-INDEN-5-YL)ACETAMIDE

58161-35-6

General procedure for the synthesis of 5-acetamido-1-indanone from N-(2,3-dihydro-1H-inden-5-yl)acetamide: To a stirred solution of N-(2,3-dihydro-1H-inden-5-yl)acetamide (11.5 g, 65.7 mmol) in acetic acid: ethyl acetate (1:1, 200 ml) was slowly added dropwise to a solution of chromium trioxide (15 g) dissolved in water at 0 °C 151.11 mmol) dissolved in water. The reaction mixture was continued to be stirred at room temperature for 3 hours. After completion of the reaction, the mixture was diluted with water and extracted with ethyl acetate. The organic phases were combined, dried over anhydrous sodium sulfate and concentrated under reduced pressure to give the crude product. The crude product was purified by silica gel column chromatography with methanol/dichloromethane as eluent to afford the target product 5-acetamido-1-indanone (9 g, 85% yield) as a yellow solid. m/z = 190 [M + H]+ by LC-MS.

[References]

[1] Patent: WO2016/44770, 2016, A1. Location in patent: Page/Page column 548
[2] Journal of Chemical Research, 2013, vol. 37, # 4, p. 232 - 235
[3] Journal of Organic Chemistry, 1962, vol. 27, p. 70 - 76
[4] Physical Chemistry Chemical Physics, 2001, vol. 3, # 17, p. 3555 - 3561
[5] Patent: WO2013/62892, 2013, A1. Location in patent: Page/Page column 45
Spectrum DetailBack Directory
[Spectrum Detail]

N1-(1-OXO-2,3-DIHYDRO-1H-INDEN-5-YL)ACETAMIDE(58161-35-6)1HNMR
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