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[ CAS No. 919475-15-3 ]

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2D
Chemical Structure| 919475-15-3
Chemical Structure| 919475-15-3
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Product Details of [ 919475-15-3 ]

CAS No. :919475-15-3MDL No. :MFCD09839132
Formula : C17H19NO2 Boiling Point : 430.8±33.0°C at 760 mmHg
Linear Structure Formula :-InChI Key :FBNGPYZLDKDFFH-UHFFFAOYSA-N
M.W :269.34Pubchem ID :44227366
Synonyms :

Computed Properties of [ 919475-15-3 ]

TPSA : 29.5 H-Bond Acceptor Count : 2
XLogP3 : - H-Bond Donor Count : 0
SP3 : 0.24 Rotatable Bond Count : 5

Safety of [ 919475-15-3 ]

Signal Word:WarningClassN/A
Precautionary Statements:P280-P305+P351+P338UN#:N/A
Hazard Statements:H302Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 919475-15-3 ]

  • Upstream synthesis route of [ 919475-15-3 ]
  • Downstream synthetic route of [ 919475-15-3 ]

[ 919475-15-3 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 6547-53-1 ]
  • [ 506-59-2 ]
  • [ 919475-15-3 ]
YieldReaction ConditionsOperation in experiment
90%
Stage #1: With thionyl chloride In dichloromethane for 6.00 h; Heating / reflux
Stage #2: With triethylamine In dichloromethane at 5 - 10℃; for 1.00 h;
4-Benzyloxyphenyl acetic acid (10Og, 0.41mol) was reacted with thionyl chloride (45ml, 0.62mol) in refluxing dichloromethane in the presence of a catalytic amount of NJSl- dimethyl formamide (one drop) for 6 hours. The acid chloride solution was added to a well stirred mixture of dimethylamine hydrochloride (101g, 1.24mol) and triethylamine (174ml, 1.24mol) in dichloromethane whilst maintaining the temperature below 5°C. After completion of the addition, stirring was continued for a further 1 hour at 5-100C. The reaction was quenched by adding water (1000ml) and the organic layer was separated. The aqueous layer was extracted with dichloromethane (3 x 500ml) and the combined extracts were washed with water (2 x 500ml). The organic layer was dried over anhydrous sodium sulphate and concentration of the organic layer afforded a residue. To the residue obtained, hexane (700ml) was added and stirred for 1 hour at 25-300C. It was then filtered to obtain acetamide (III) as an off-white solid. The structure of the product was confirmed by 1H-NMR. Weight of the product = 10Og; molar yield = 90percent.
Reference: [1] Patent: WO2008/93142, 2008, A1. Location in patent: Page/Page column title page; 11; Sheet 3/3
  • 2
  • [ 100-39-0 ]
  • [ 919475-15-3 ]
YieldReaction ConditionsOperation in experiment
92% With potassium carbonate In N,N-dimethyl-formamide at 20 - 60℃; for 97.00 h; 4-(Dimethylcarbamoylmethyl)phenol (35.6 g, 198.5 mmol) in dimethylformamide (DMF) (400 mL) was treated with K2CO3 (35.6 g, 258.0 mmol) followed by benzyl bromide (28 mL, 238 mmol).
The mixture was stirred at room temperature for 4 days followed by heating at 60° C. for 1 h.
The mixture was concentrated to remove DMF, diluted with EtOAc and washed with water 3*.
Dry MgSO4 was added, the mixture filtered and concentrated to low volume.
Hexane was added to precipitate product.
Solids were collected via filtration and dryed to give 49 g, 92percent yield of a solid.
Reference: [1] Patent: US2007/15828, 2007, A1. Location in patent: Page/Page column 6; 10
[2] Patent: US2007/259041, 2007, A1. Location in patent: Page/Page column 8
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