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Chemical Structure| 36802-01-4 Chemical Structure| 36802-01-4

Structure of 36802-01-4

Chemical Structure| 36802-01-4

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Product Details of [ 36802-01-4 ]

CAS No. :36802-01-4
Formula : C7H8O4
M.W : 156.14
SMILES Code : O=C(C1=CC=C(CO)O1)OC
MDL No. :MFCD06203650
InChI Key :GCVVHNKBMLQFCY-UHFFFAOYSA-N
Pubchem ID :12733589

Safety of [ 36802-01-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Application In Synthesis of [ 36802-01-4 ]

* 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 [ 36802-01-4 ]

[ 36802-01-4 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 67-56-1 ]
  • [ 6338-41-6 ]
  • [ 36802-01-4 ]
  • 3
  • [ 6338-41-6 ]
  • [ 74-88-4 ]
  • [ 36802-01-4 ]
  • 4
  • [ 6338-41-6 ]
  • [ 18107-18-1 ]
  • [ 36802-01-4 ]
  • 5
  • [ 67-56-1 ]
  • [ 22860-23-7 ]
  • [ 6338-41-6 ]
  • [ 36802-01-4 ]
YieldReaction ConditionsOperation in experiment
16%; 69% at 22℃; for 72h; General procedure: Starting from, D-glucono-5-lactone (1.01 g), acetic anhydride (8 ml_), iodine (6.8 mg) and NaOAc (533 mg), compound 1 was produced as in method 2 of EXAMPLE 1. The resulting crude syrup of compound 1 was dissolved in 10 mL MeOH and to this acetyl chloride (50 pL, 0.12 eq) was added. After stirring for 3 days TLC indicated full conversion, the reaction mixture was concentrated and purified by column chromatography (1 : 6 acetone/toluene) to yield compound 2 as yellowish oil (612 mg, 69 %). bp 121-124 C (2.1-2.4*101mbar), *H NMR (500 MHz, CDCb) d 7.13 (d, J33A = 3.5 Hz, 1H, H3), 6.41 (dt, J = 0.8 Hz, 1H, H4), 4.68 (d, J3CH2,OH = 6.2 Hz, 2H,CH2hydroxymethyi); 3 8g (S; 3H;CH3ester), 2.14 (t, 1H, OH).13C NMR (126 MHz, CDCb) d 159.3 (COester), 158.4 (C5), 144.2 (C2), 119.0 (C3), 109.6 (C4), 57.7 (CHz^^y^y'), 52.1 (CH3ester)· Identical to reported NMR3' and13C NMR3spectra.The yield in the present example is the total yield of HMMF over three steps stemming from glucono-lactone.
 

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