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Chemical Structure| 51673-64-4 Chemical Structure| 51673-64-4

Structure of 51673-64-4

Chemical Structure| 51673-64-4

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Product Details of [ 51673-64-4 ]

CAS No. :51673-64-4
Formula : C5H8O3
M.W : 116.12
SMILES Code : O=C(OC)C(C)C=O
MDL No. :MFCD00044011

Safety of [ 51673-64-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225-H315-H319
Precautionary Statements:P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Class:3
UN#:1993
Packing Group:

Application In Synthesis of [ 51673-64-4 ]

* 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 [ 51673-64-4 ]

[ 51673-64-4 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 51673-64-4 ]
  • [ 456-14-4 ]
  • 2-(4-'-Fluorophenyl)-5-methyl-4-pyrimidinone [ No CAS ]
YieldReaction ConditionsOperation in experiment
10.3% In sodium hydroxide; ethanol; Example 38 2-(4-'-Fluorophenyl)-5-methyl-4-pyrimidinone Sodium hydride (0.52 g, 13 mmol) is added to 20 ml of anhydrous ethanol and stirred for 30 minutes at ambient temperature. To this, <strong>[456-14-4]4-fluorobenzamidine hydrochloride</strong> (1.47 g, 8.5 mmol) (from example 1) is added and the mixture is stirred for further 30 minutes. Methyl 2-formylpropionate (1 g, 10.6 mmol) is added dropwise and the reaction mixture is left for 4 days under stirring at ambient temperature. After cooling, the solvent is removed in vacuo and the residue is dissolved in aqueous sodium hydroxide (10 ml, 1M). Then the mixture is brought to pH 5 with 2 molar hydrochloric acid. The precipitate is filtered off and washed with diisopropyl ether. After drying, colorless crystals (0.44 g, 10.3percent) of melting point >250° C. are obtained.
  • 2
  • [ 51673-64-4 ]
  • [ 456-14-4 ]
  • [ 180606-36-4 ]
YieldReaction ConditionsOperation in experiment
10.3% In sodium hydroxide; ethanol; EXAMPLE 51 2-(4'Fluorophenyl)-5-methyl-4-pyrimidinone Sodium hydride (0.52 g, 13 mmol) is added to 20 mL of anhydrous ethanol and stirred for 30 minutes at ambient temperature. To this, <strong>[456-14-4]4-fluorobenzamidine hydrochloride</strong> (1.47 g, 8.5 mmol) (from example 40) is added and the mixture is stirred for further 30 minutes. Methyl 2-formylpropionate (1 g, 10.6 mmol) is added dropwise and the reaction mixture is left for 4 days under stirring at ambient temperature. After cooling, the solvent is removed in vacuo and the residue is dissolved in aqueous sodium hydroxide (10 mL, 1M). Then the mixture is brought to pH 5 with 2 molar hydrochloric acid. The precipitate is filtered off and washed with diisopropyl ether. After drying, colorless crystals (0.44 g, 10.3percent) of melting point >250° C. are obtained.
  • 3
  • [ 51673-64-4 ]
  • [ 13304-62-6 ]
  • methyl 5-(benzylamino)-2-formyl-2-methyl-5-oxopentanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
160 mg With potassium carbonate; In dichloromethane; at 40℃; for 4h; General procedure: A 4-mL reaction vial with a stirring bar was charged with Rh(acac)(CO)2 (0.5 mg, 2 mumol, 0.2 mol%), and MeCgPPh (L6, 1.8 mg,6.0 mumol, 0.6 mol%). CH2Cl2 (1 mL) was added by syringe to give a clear yellow solution, and finally the acrylate (1.0 mmol) was added to the mixture. The reaction vial was fitted with a hollow screwcap bearing a pierced butadiene-faced septum and placed in a Parr stainless steel autoclave. The atmosphere inside the autoclave was replaced with CO by 3 compression/decompression cycles, and then pressurized with CO/H2 (1:1, 30 bar). The mixture was then stirred at maximum speed at 40 C for 5 h; afterwards, the autoclave was cooled to r.t. and decompressed slowly. Michael acceptor (1 equiv) was added to the product of the hydroformylation step, and finally acatalytic amount of base (15 mol%) was added to the mixture. The reaction vials were closed tightly and stirred at 40 C for 4-6 h while following the progress of the reaction by TLC. The obtained dispersion was washed with water/CH2Cl2 and the organic phase was concentrated in vacuo and purified by column chromatography (silica gel,cyclohexane/EtOAc).
 

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