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Chemical Structure| 5129-72-6 Chemical Structure| 5129-72-6

Structure of 5129-72-6

Chemical Structure| 5129-72-6

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Product Details of [ 5129-72-6 ]

CAS No. :5129-72-6
Formula : C5H11NO
M.W : 101.15
SMILES Code : CCC(NCC)=O
MDL No. :MFCD00059388
InChI Key :ABMDIECEEGFXNC-UHFFFAOYSA-N
Pubchem ID :521324

Safety of [ 5129-72-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 5129-72-6 ]

* 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 [ 5129-72-6 ]

[ 5129-72-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 79-37-8 ]
  • [ 5129-72-6 ]
  • [ 141179-72-8 ]
  • [ 189807-21-4 ]
YieldReaction ConditionsOperation in experiment
In dichloromethane; Step A. 2-Trifluoromethyl-4-fluorobenzoyl chloride A suspension of <strong>[141179-72-8]2-trifluoromethyl-4-fluorobenzoic acid</strong> (16.85 g, 81 mmol) in dichloromethane (150 mL) containing a few drops of diethylformamide was treated dropwise under nitrogen with oxalyl chloride (8.5 mL, 97.4 mmol). After the gas evolution subsided, the reaction mixture was refluxed for an additional 10 minutes, and then evaporated to dryness in vacuo. The crude acid chloride was used as such in the next step.
  • 2
  • [ 3513-81-3 ]
  • [ 5129-72-6 ]
  • [ 112-82-3 ]
  • [ 107560-63-4 ]
YieldReaction ConditionsOperation in experiment
In pentane; Preparation 1 3-Hexadecyloxy-2-methylenepropan-1-ol 1-Bromohexadecane (61.1 g), diethylformamide (200 ml) and 2-methylenepropane-1,3-diol (17.7 g) were mixed. Sodium hydride dispersion (55-60percent in oil, 21.8 g) was added over 10 minutes, and the mixture was then stirred at 55°C for 1 hour. The reaction mixture was cooled to room temperature and carefully quenched with water (400 ml), extracted with ether (2 * 200 ml), and the ether extracts were washed with water (200 ml), dried over anhydrous magnesium sulfate, filtered and evaporated to dryness in vacuo . The product was purified through a column of silica gel 60 (70-230 mesh, 30 g) eluding with ether/pentane 1: 3. Further purification was achieved by chromatography on Waters PrepLC.(R)./System 500A using a prepPAK.(R).-500/SILICA cartridge with ether/pentane 1: 4 followed by ether as eluent. Mp. 38-40°C. Elemental analysis: calculated C 76.86percent, H 12.90percent, found C 76.82percent, H 12.85percent.
 

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