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Type HazMat fee for 500 gram (Estimated)
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Chemical Structure| 94-05-3 Chemical Structure| 94-05-3

Structure of 94-05-3

Chemical Structure| 94-05-3

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Product Details of [ 94-05-3 ]

CAS No. :94-05-3
Formula : C8H11NO3
M.W : 169.18
SMILES Code : O=C(OCC)/C(C#N)=C/OCC
MDL No. :MFCD00009136
InChI Key :KTMGNAIGXYODKQ-VOTSOKGWSA-N
Pubchem ID :1715183

Safety of [ 94-05-3 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H315-H317-H318-H334-H335
Precautionary Statements:P264-P261-P270-P271-P272-P280-P285-P305+P351+P338-P310-P302+P352-P304+P340-P330-P342+P311-P362+P364-P403+P233-P501
Class:9
UN#:3335
Packing Group:

Application In Synthesis of [ 94-05-3 ]

* 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.

  • Upstream synthesis route of [ 94-05-3 ]
  • Downstream synthetic route of [ 94-05-3 ]

[ 94-05-3 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 2986-19-8 ]
  • [ 94-05-3 ]
  • [ 89487-99-0 ]
YieldReaction ConditionsOperation in experiment
65% With potassium carbonate In ethanol for 48 h; Heating / reflux 2-Methyl-2-thiopseudourea (5 mmol) and ethyl ethoxymethylenecyanoacetate (5 mmol) were dissolved in 20 ml EtOH. To this was added K2CO3 (10 mmol). After the mixture was refluxed for 48 h, it was cooled to room temperature and filtered. The solvent was concentrated in vacuo and purified by column chromatography to give 4-hydroxy-2-(methylthio) pyrimidine-5-carbonitrile in a yield of 65percent.
References: [1] Patent: US2008/255172, 2008, A1, . Location in patent: Page/Page column 70.
  • 2
  • [ 94-05-3 ]
  • [ 89487-99-0 ]
References: [1] Patent: US2009/270389, 2009, A1, . Location in patent: Page/Page column 43.
  • 3
  • [ 14527-26-5 ]
  • [ 94-05-3 ]
  • [ 89487-99-0 ]
References: [1] Patent: US2003/158218, 2003, A1, .
  • 4
  • [ 6829-40-9 ]
  • [ 94-05-3 ]
  • [ 853058-40-9 ]
References: [1] Patent: US6693193, 2004, B1, . Location in patent: Page column 14.
[2] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 1, p. 218 - 222.
 

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