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[ CAS No. 66247-84-5 ]

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2D
Chemical Structure| 66247-84-5
Chemical Structure| 66247-84-5
Structure of 66247-84-5 *Storage: {[proInfo.prStorage]}

Quality Control of [ 66247-84-5 ]

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Related Doc. of [ 66247-84-5 ]

SDS

Product Details of [ 66247-84-5 ]

CAS No. :66247-84-5MDL No. :MFCD13176517
Formula :C4H8ClN3Boiling Point :-
Linear Structure Formula :-InChI Key :-
M.W :133.58Pubchem ID :45791344
Synonyms :

Computed Properties of [ 66247-84-5 ]

TPSA : 54.7 H-Bond Acceptor Count : 2
XLogP3 : - H-Bond Donor Count : 3
SP3 : 0.25 Rotatable Bond Count : 1

Safety of [ 66247-84-5 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P280-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 66247-84-5 ]

  • Upstream synthesis route of [ 66247-84-5 ]
  • Downstream synthetic route of [ 66247-84-5 ]

[ 66247-84-5 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 3034-50-2 ]
  • [ 66247-84-5 ]
YieldReaction ConditionsOperation in experiment
100%
Stage #1: With ammonia In methanol at 40℃; for 0.50 h;
Stage #2: With hydrogen In methanol at 40 - 50℃; for 28.00 h;
Stage #3: With hydrogenchloride In methanol; diethyl ether
12.0 g (124 mmol) 4-formyl-imidazole are placed together with 750 mg Raney nickel in 1000 ml of methanolic ammonia solution and shaken at 40° C. for 30 min. Then the mixture is hydrogenated in a Parr apparatus under a hydrogen atmosphere at 5 bars pressure at 40° C. for 14 h. Another 750 mg Raney nickel are then added and the mixture is again hydrogenated at 50° C. under a hydrogen atmosphere at 5 bars pressure for 14 h. The mixture is filtered, evaporated down i. vac., and in each case methanol, toluene and ethanol are added to the residue and it is again evaporated down completely i. vac. The residue is combined with ethereal hydrochloric acid in methanol and evaporated down completely i. vac. The residue is in each case combined with methanol and dichloromethane and evaporated down completely i. vac.Yield: 21.2 g (quant.)Rt value: 0.49 min (D)C4H7N3*2 HCl (170.04/97.12)Mass spectrum: (M+H)+=98
Reference: [1] Patent: US2008/51578, 2008, A1. Location in patent: Page/Page column 34
  • 2
  • [ 1225653-08-6 ]
  • [ 66247-84-5 ]
YieldReaction ConditionsOperation in experiment
29% With hydrogenchloride; hydrogen In tetrahydrofuran; ethanol; ethyl acetate at 80℃; for 3.00 h; 18-1-3 C-(1 H-lmidazol-4-yl)methylamine dihydrochloride; To a solution containing 450 mg of piperidin-1 -yl-(1 -trityl-1 H-imidazol-4-yl- methylene)amine in 3.5 mL of 3N hydrogen chloride in ethyl acetate are added 90 mg of 10percent Pd/C, 0.5 mL of THF and 0.9 mL of ethanol. The reaction medium is placed under a hydrogen pressure of 6 bar and heated at 80°C for 3 hours. After filtering off the catalyst and evaporating off the solvents, the crude product obtained is chromatographed on silica gel (eluent: 6/4 DCIWMeOH). 50 mg of C-(1 H-imidazol- 4-yl)methylamine dihydrochloride in the form of a white powder are obtained in a yield of 29percent.
Reference: [1] Patent: WO2010/52255, 2010, A1. Location in patent: Page/Page column 68
  • 3
  • [ 191104-34-4 ]
  • [ 66247-84-5 ]
Reference: [1] Heterocycles, 1994, vol. 37, # 1, p. 275 - 282
  • 4
  • [ 57090-90-1 ]
  • [ 66247-84-5 ]
Reference: [1] Journal of the American Chemical Society, 1949, vol. 71, p. 2801
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