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Chemical Structure| 62147-49-3 Chemical Structure| 62147-49-3

Structure of 1,3-Dihydroxyacetone dimer
CAS No.: 62147-49-3

Chemical Structure| 62147-49-3

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Product Details of [ 62147-49-3 ]

CAS No. :62147-49-3
Formula : C6H12O6
M.W : 180.16
SMILES Code : O[C@@]1(CO)OC[C@@](O)(CO)OC1
MDL No. :MFCD00051019

Safety of [ 62147-49-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Application In Synthesis of [ 62147-49-3 ]

* 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 [ 62147-49-3 ]

[ 62147-49-3 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 62147-49-3 ]
  • [ 38980-96-0 ]
  • [ 466664-93-7 ]
YieldReaction ConditionsOperation in experiment
44% In diethyl ether; ammonia; Reaction Scheme 6, Step 1 [2-(4-Trifluoromethyl-phenyl)-1H-imidazol-4-yl]-methanol A mixture of <strong>[38980-96-0]4-<strong>[38980-96-0]trifluoromethylbenzamidine hydrochloride</strong></strong> (2.5 g) and 1,3-dihydroxyacetone dimer (Avocado 14189, 2 g) was heated at 80 C. in concentrated ammonia solution (20 ml) for 1 h. The mixture was allowed to cool and the product extracted with ethyl acetate (150 ml). The organic phase was dried (anhydrous magnesium sulphate), filtered and evaporated. The residue was triturated in diethyl ether to give the title compound as a white solid (1.2 g, 44%). Mass spectrum 243 [M+H]+.
  • 2
  • [ 62147-49-3 ]
  • [ 38993-84-9 ]
YieldReaction ConditionsOperation in experiment
With methylamine hydrochloride; 32-1) Preparation of 5-hydroxymethyl-1-methyl-1H-imidazole Dihydroxyacetone dimer and methylamine hydrochloride were reacted according to the same procedure described in a literature (see: J. Med. Chem., 33, 1312-1329, 1990) to give the title compound. 1H NMR(DMSO) delta 3.60 (s, 3H), 4.46 (s, 2H), 6.78(s, 1H), 7.54(s, 1H)
  • 3
  • [ 62147-49-3 ]
  • [ 593-51-1 ]
  • [ 333-20-0 ]
  • [ 38993-84-9 ]
  • 4
  • [ 62147-49-3 ]
  • [ 333-20-0 ]
  • [ 63203-48-5 ]
  • ethyl 1-(5-(hydroxymethyl)-2-thioxo-2,3-dihydro-1H-imidazol-1-yl)cyclohexanecarboxylate [ No CAS ]
  • 5
  • [ 62147-49-3 ]
  • [ 38980-96-0 ]
  • [ 466664-93-7 ]
YieldReaction ConditionsOperation in experiment
37% With ammonium hydroxide; In water; at 80℃; for 1h; A solution of 4-(trifluoromethyl)benzamidine; hydrochloride (8 g, 35.62 mmol) and 1,3- dihydroxyacetone dimer (6.42g, 36.62 mmol) in ammonia solution (30%, 90 ml) was heated to 80C for lh. The reaction mixture was cooled and extracted with EtOAc. The combined organic layers were washed with water and brine, dried with Na2S04 and evaporated. The remaining residue was purified by column chromatography (silica gel; EtOAc/hexane 4: 1) to obtain [2- [4- (trifluoromethyl)phenyl]-lH-imidazol-4-yl] methanol as a pale brown solid. (3.2g, 37%). 1H-NMR (DMSO-d6, 400 MHz): delta 4.42 (d, J= 5.6 Hz, 1H), 4.58 (d, J= 5.76 Hz, 1H), 4.91 & 5.16 (a pair of t, J= 5.6 Hz & 5.4 Hz, 1H), 6.94 & 7.16 (a pair of s, 1H), 4.91 & 5.16 (a pair of t, J= 5.6 Hz & 5.4 Hz, 1H), 7.79 (d, J= 8.12 Hz, 2H), 8.10 (d, J= 8.16 Hz, 1H), 8.14 (d, J= 8.20 Hz, 1H), 12.61 & 12.77 (a pair of s,lH).
 

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