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Chemical Structure| 857177-01-6 Chemical Structure| 857177-01-6

Structure of 857177-01-6

Chemical Structure| 857177-01-6

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Product Details of [ 857177-01-6 ]

CAS No. :857177-01-6
Formula : C9H12O5
M.W : 200.19
SMILES Code : O=C(OCC)C(C1COCCC1=O)=O
MDL No. :MFCD21604042

Safety of [ 857177-01-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H302
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 857177-01-6 ]

* 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.

  • Upstream synthesis route of [ 857177-01-6 ]
  • Downstream synthetic route of [ 857177-01-6 ]

[ 857177-01-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 857177-01-6 ]
  • [ 518990-21-1 ]
YieldReaction ConditionsOperation in experiment
915 g at 20 - 30℃; Ethyl 2-oxo-2-(4-oxotetrahydro-2H-pyran-3-yl)acetate (2) (1.1 kg) was added to glacial acetic acid (1.0 kg).The temperature was controlled at 20-30 ° C, and hydrazine hydrate (910 g, 14.4 mol, 2.9 eq.) was slowly added dropwise. After the dropwise addition, the reaction was stirred overnight at this temperature.After the TLC reaction was completed, water (10 L) and ethyl acetate (5 L) were added. The pH was adjusted with solid sodium carbonate (8-9).After the adjustment, stirring for 30 min, layering. The aqueous layer was extracted with ethyl acetate (5L*2). All organic layers were combined and washed with brine (5 L).Concentrate under reduced pressure until substantially no liquid is discharged, and petroleum ether (2 L) is added for beating. filter,The white crude solid 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid ethyl ester (3) (915 g, UPLC purity: 99percent) was obtained.
References: [1] Patent: CN108546266, 2018, A, . Location in patent: Paragraph 0045-0047.
 

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