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[ CAS No. 5637-42-3 ] {[proInfo.proName]}

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Chemical Structure| 5637-42-3
Chemical Structure| 5637-42-3
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Product Details of [ 5637-42-3 ]

CAS No. :5637-42-3 MDL No. :MFCD16251323
Formula : C8H8N4 Boiling Point : -
Linear Structure Formula :- InChI Key :BTDGLZSKNFJBER-UHFFFAOYSA-N
M.W : 160.18 Pubchem ID :17747914
Synonyms :

Safety of [ 5637-42-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338-P310 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 5637-42-3 ]

* 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 [ 5637-42-3 ]
  • Downstream synthetic route of [ 5637-42-3 ]

[ 5637-42-3 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 420-04-2 ]
  • [ 873-74-5 ]
  • [ 5637-42-3 ]
YieldReaction ConditionsOperation in experiment
33 g
Stage #1: With nitric acid In ethanol; water for 16 h; Reflux
Stage #2: With sodium hydroxide In water
A solution of P-aminobenzonitrile (100 gm), ethanol (500 ml), concentrated nitric acid (36 ml) and aqueous cyanamide (50percent, 54 ml) was heated at reflux.
The solution was maintained for 16 hours at reflux.
The reaction mass was further cooled to 0° C. and then added methyl tert-butyl ether (500 ml) at 0 to 5° C.
The reaction mass was maintained for 5 hours at 0 to 5° C. and separated solid obtained was collected by filtration to obtain 59 gm of guanidine nitrate.
Guanidine nitrate (59 gm) was dissolved in water (590 ml) and then added sodium hydroxide solution (1M, 325 ml).
The separated solid obtained was filtered and dried to obtain 33 gm of 1-(4-cyanophenyl)guanidine.
30 g With nitric acid In methanol; water at 10 - 65℃; for 8 h; 100 g of 4-aminobenzonitrile was dissolved in 500 mL of methanol and cooled the reaction mixture to 10-15° C. 161 mL of con. Nitric acid was added to the reaction mixture followed by 65.6 ml of 50percent aqueous solution cynamide to the reaction mixture and maintained the reaction at 65° C. for 8 hrs. Cooled the reaction mass to 0° C. and charged 500 ml of methyl-t-butyl ether at 0° C. The solids were filtered, washed with water and acetone and dried to give 30 g of the product as a solid.
Reference: [1] European Journal of Medicinal Chemistry, 2010, vol. 45, # 1, p. 244 - 255
[2] Patent: WO2012/1695, 2012, A1, . Location in patent: Page/Page column 10
[3] Patent: US2013/96148, 2013, A1, . Location in patent: Paragraph 0085; 0086
[4] Patent: US2015/336900, 2015, A1, . Location in patent: Paragraph 0027; 0028
  • 2
  • [ 5637-42-3 ]
  • [ 1398507-08-8 ]
Reference: [1] Patent: WO2012/147104, 2012, A1,
[2] Patent: US2013/116433, 2013, A1,
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