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Chemical Structure| 622-42-4 Chemical Structure| 622-42-4

Structure of 622-42-4

Chemical Structure| 622-42-4

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Product Details of [ 622-42-4 ]

CAS No. :622-42-4
Formula : C7H7NO2
M.W : 137.14
SMILES Code : O=[N+](CC1=CC=CC=C1)[O-]
MDL No. :MFCD00053440
InChI Key :VLZLOWPYUQHHCG-UHFFFAOYSA-N
Pubchem ID :69321

Safety of [ 622-42-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H315-H319-H335
Precautionary Statements:P261-P301+P310-P305+P351+P338
Class:6.1
UN#:2810
Packing Group:

Application In Synthesis of [ 622-42-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 622-42-4 ]

[ 622-42-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 622-42-4 ]
  • sodium carbonate monohydrate [ No CAS ]
  • [ 6665-98-1 ]
  • [ 5428-02-4 ]
YieldReaction ConditionsOperation in experiment
78% With formaldehyd; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; toluene; EXAMPLE 2 2-Nitro-2 Phenyl-1.3-Propanediol 100 g. (0.73 mole) of nitromethylbenzene, 131.5 g. (1.61 mole) of 37% formaldehyde and 1.8 g. of sodium carbonate monohydrate are placed in a 500 ml. beaker equipped with a mechanical stirrer. The mixture is stirred, the temperature rises to 38 C. and is maintained at 38 C. by using a cold water bath. After 1 1/2 hours, crystals begin to form. The mixture is diluted with 210 ml. of ice water and stirred at 10 C. for about 2 hours. The mixture is filtered and the filtrate washed with water. The damp cake is placed back in the beaker and 280 ml. of ice water is added. The mixture is stirred for 1 hour, filtered and air dried overnight. The solid is stirred with 250 ml. of toluene for about 1 hour at 10 C. and filtered, then washed with cold toluene and dried. The yield is 112.6 g. of nitrophenyldiol (78%), M.P. 96-97.5 C.
78% With formaldehyd; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; toluene; EXAMPLE 3 2- Nitro-2 Phenyl-1, 3-Propanediol 100 g. (0.73 mole) of nitromethylbenzene, 131.5 g. (1.61 mole) of 37% formaldehyde and 1.8 g. of sodium carbonate monohydrate are placed in a 500 ml. beaker equipped with a mechanical stirrer. The mixture is stirred, the temperature rises to 38 C. and is maintained at 38 C. by using a cold water bath. After 11/2 hours, crystals begin to form. The mixture is diluted with 210 ml. of ice water and stirred at 10 C. for about 2 hours. The mixture is filtered and the filtrate washed with water. The damp cake is placed back in the beaker and 280 ml. of ice water is added. The mixture is stirred for 1 hour, filtered and air dried overnight. The solid is stirred with 250 ml. of toluene for about 1 hour at 10 C. and filtered, then washed with cold toluene and dried. The yield is 112.6 g. of nitrophenyldiol (78%), M.P. 96-97.5 C.
78% With formaldehyd; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; toluene; EXAMPLE 3 2-NITRO-2 PHENYL-1, 3-PROPANEDIOL 100 g. (0.73 mole) of nitromethylbenzene, 131.5 g. (1.61 mole) of 37% formaldehyde and 1.8g of sodium carbonate monohydrate are placed in a 500 ml. beaker equipped with a mechanical stirrer. The mixture is stirred, the temperature rises to 38oC and is maintained at 38oC by using a cold water bath. After 1-1/2 hours, crystals begin to form. The mixture is diluted with 210 ml. of ice water and stirred at 10oC for about 2 hours. The mixture is filtered and the filtrate washed with water. The damp cake is placed back in the beaker and 280 ml. of ice water is added. The mixture is stirred for 1 hour, filtered and air dried overnight. The solid is stirred with 250 ml. of toluene for about 1 hour at 10oC and filtered, then washed with cold toluene and dried. The yield is 112.6g of nitrophenyldiol (78%), M.P. 96-97.5oC.
 

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