ChemicalBook--->CAS DataBase List--->4996-22-9

4996-22-9

4996-22-9 Structure

4996-22-9 Structure
IdentificationBack Directory
[Name]

4-NITROPHENYLGLYOXAL HYDRATE
[CAS]

4996-22-9
[Synonyms]

4-NITROPHENYLGLYOXAL H2O
4-NITROPHENYLGLYOXAL HYDRATE
4-Nitrophenylglyoxal hydrate 95%
4-NITROPHENYLGLYOXAL HYDRATE, 95+%
2,2-dihydroxy-1-(4-nitrophenyl)ethanone
Ethanone, 2,2-dihydroxy-1-(4-nitrophenyl)-
2-(4-Nitrophenyl)-2-oxoacetaldehydehydrate
(4-Nitrophenyl)(oxo)acetaldehyde hydrate, 4-(Oxoacetyl)nitrobenzene hydrate
[Molecular Formula]

C8H7NO5
[MDL Number]

MFCD07776822
[MOL File]

4996-22-9.mol
[Molecular Weight]

197.14
Chemical PropertiesBack Directory
[Melting point ]

97-100 °C
[Boiling point ]

356.7±27.0 °C(Predicted)
[density ]

1.537±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

10.16±0.41(Predicted)
[Appearance]

Off-white to light yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[Hazard Codes ]

Xi
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26-36/37/39
[Hazard Note ]

Irritant
Spectrum DetailBack Directory
[Spectrum Detail]

4-NITROPHENYLGLYOXAL HYDRATE(4996-22-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-Nitroacetophenone

100-19-6

4-NITROPHENYLGLYOXAL HYDRATE

4996-22-9

GENERAL METHODS: A mixture of 4-nitroacetophenone (0.6 mmol) and ethylene bromide (0.06 mmol) in DMSO (1.1 mL) was placed in an open-top flask and heated in an oil bath (see Table 2 for specific temperatures and reaction times). After completion of the reaction (monitored by TLC), the reaction mixture was diluted with water (11 mL), salted with saturated NaCl solution and extracted with ethyl acetate (5 × 4 mL). Only in case of synthesis of arylglyoxal, the organic layer was additionally washed with aqueous Na2CO3 (0.12 mmol, dissolved in 2 mL of water), followed by saturated aqueous NaCl solution and dried with anhydrous Na2SO4. The extract was purified by column chromatography (eluent: petroleum ether/ethyl acetate gradient) to give pure 2,2-dihydroxy-1-(4-nitrophenyl)ethanone.

[References]

[1] Tetrahedron Asymmetry, 2010, vol. 21, # 18, p. 2244 - 2248
[2] Tetrahedron, 2011, vol. 67, # 41, p. 8000 - 8008
[3] Journal of Fluorine Chemistry, 2010, vol. 131, # 12, p. 1289 - 1296
[4] Tetrahedron Letters, 2011, vol. 52, # 31, p. 4036 - 4038
[5] Tetrahedron, 2013, vol. 69, # 1, p. 22 - 28
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