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[ CAS No. 96-31-1 ] {[proInfo.proName]}

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Chemical Structure| 96-31-1
Chemical Structure| 96-31-1
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Product Details of [ 96-31-1 ]

CAS No. :96-31-1 MDL No. :MFCD00008286
Formula : C3H8N2O Boiling Point : -
Linear Structure Formula :- InChI Key :MGJKQDOBUOMPEZ-UHFFFAOYSA-N
M.W : 88.11 Pubchem ID :7293
Synonyms :

Safety of [ 96-31-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P501-P260-P314 UN#:N/A
Hazard Statements:H373 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 96-31-1 ]

* 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 [ 96-31-1 ]
  • Downstream synthetic route of [ 96-31-1 ]

[ 96-31-1 ] Synthesis Path-Upstream   1~10

  • 1
  • [ 80981-25-5 ]
  • [ 51105-90-9 ]
  • [ 96-31-1 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1983, p. 1293 - 1298
  • 2
  • [ 124-41-4 ]
  • [ 80981-25-5 ]
  • [ 51105-90-9 ]
  • [ 96-31-1 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1983, p. 1293 - 1298
  • 3
  • [ 96-31-1 ]
  • [ 598-50-5 ]
  • [ 2434-53-9 ]
Reference: [1] Journal of Molecular Structure, 1997, vol. 435, # 2, p. 133 - 141
  • 4
  • [ 96-31-1 ]
  • [ 372-09-8 ]
  • [ 6642-31-5 ]
YieldReaction ConditionsOperation in experiment
80% for 4 h; Reflux To warmed ethanolic sodium ethoxide solution (prepared by dissolving (10 mmol) of sodium metal in 40 ml absolute ethanol), was added each of 1,3-dimethylurea and 2-cyanoacetic acid (10 mmol), the refluxing was continued for 2- 4 h with control by (TLC) and then cooled to room temperature, poured into cold water (100 ml). The solid product precipitated was filtered off, washed with water and dried, to produce compound 2 in high yields as yellow crystals (80 percent) from methanol.
Reference: [1] Tetrahedron Letters, 2005, vol. 46, # 34, p. 5727 - 5729
[2] Letters in Drug Design and Discovery, 2015, vol. 12, # 6, p. 471 - 478
[3] Journal of the American Chemical Society, 1954, vol. 76, p. 2798
[4] Journal of Organic Chemistry, 1951, vol. 16, p. 1879,1881,1887
[5] Journal of Molecular Structure, 1997, vol. 435, # 2, p. 133 - 141
[6] Journal of Medicinal Chemistry, 2006, vol. 49, # 12, p. 3682 - 3692
[7] European Journal of Medicinal Chemistry, 2009, vol. 44, # 5, p. 2122 - 2127
[8] Arzneimittel-Forschung/Drug Research, 2010, vol. 60, # 3, p. 131 - 136
[9] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 4, p. 1739 - 1742
[10] Chemical and Pharmaceutical Bulletin, 2012, vol. 60, # 3, p. 385 - 390
[11] Archives of Pharmacal Research, 2012, vol. 35, # 8, p. 1355 - 1368
[12] Drug Development Research, 2016, p. 241 - 250
  • 5
  • [ 96-31-1 ]
  • [ 105-56-6 ]
  • [ 6642-31-5 ]
Reference: [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1990, vol. 26, # 2, p. 191 - 200[2] Khimiya Geterotsiklicheskikh Soedinenii, 1990, vol. 26, # 2, p. 224 - 233
[3] Journal of Combinatorial Chemistry, 2010, vol. 12, # 4, p. 510 - 517
  • 6
  • [ 96-31-1 ]
  • [ 108-24-7 ]
  • [ 372-09-8 ]
  • [ 6642-31-5 ]
Reference: [1] Journal of Chemical Crystallography, 2012, vol. 42, # 7, p. 711 - 720
  • 7
  • [ 96-31-1 ]
  • [ 105-34-0 ]
  • [ 6642-31-5 ]
Reference: [1] Chemicke Zvesti, 1952, vol. 6, p. 357[2] Chem.Abstr., 1954, p. 7019
  • 8
  • [ 74124-79-1 ]
  • [ 74-89-5 ]
  • [ 18342-66-0 ]
  • [ 96-31-1 ]
Reference: [1] Tetrahedron Letters, 1983, vol. 24, # 42, p. 4569 - 4572
  • 9
  • [ 96-31-1 ]
  • [ 90-15-3 ]
  • [ 63-25-2 ]
Reference: [1] Patent: US4987233, 1991, A,
[2] Patent: EP296864, 1988, A2,
  • 10
  • [ 96-31-1 ]
  • [ 150-13-0 ]
  • [ 6274-22-2 ]
Reference: [1] Synlett, 2011, # 11, p. 1597 - 1601
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