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[ CAS No. 4857-04-9 ] {[proInfo.proName]}

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Chemical Structure| 4857-04-9
Chemical Structure| 4857-04-9
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Product Details of [ 4857-04-9 ]

CAS No. :4857-04-9 MDL No. :MFCD00005602
Formula : C8H7ClN2 Boiling Point : -
Linear Structure Formula :C6H4(NHC(CH2Cl)N) InChI Key :SPMLMLQATWNZEE-UHFFFAOYSA-N
M.W : 166.61 Pubchem ID :78571
Synonyms :

Safety of [ 4857-04-9 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P264-P270-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501 UN#:3261
Hazard Statements:H302-H314 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 4857-04-9 ]

* 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.

  • Downstream synthetic route of [ 4857-04-9 ]

[ 4857-04-9 ] Synthesis Path-Downstream   1~8

  • 1
  • [ 4857-04-9 ]
  • [ 526-08-9 ]
  • [ 107090-12-0 ]
  • 2
  • [ 4857-04-9 ]
  • [ 39987-25-2 ]
  • [ 89218-91-7 ]
  • 3
  • [ 4857-04-9 ]
  • [ 123-54-6 ]
  • [ 152037-49-5 ]
  • [ 19276-01-8 ]
  • [ 397869-09-9 ]
  • 4
  • [ 4857-04-9 ]
  • [ 14984-26-0 ]
  • 5
  • [ 40263-57-8 ]
  • [ 4857-04-9 ]
  • [ 1459801-50-3 ]
  • 6
  • [ 4857-04-9 ]
  • [ 2986-17-6 ]
  • N,N’-diisopropyl-S-(1H-benzimidazol-2-yl-methyl)isothiouronium chloride [ No CAS ]
YieldReaction ConditionsOperation in experiment
74% In ethanol;Reflux; General procedure: To a hot solution of the respective thiourea derivative (2)(3.05 mmol) in anhydrous ethanol (12 mL) 2-chloromethylbenzimidazole or its 5,6-dichloro congener (3.0mmol) was added (19). The mixture was refluxed for 3?90min depending on the thiourea derivative used, and then thesolvent was evaporated. The residue was treated with hotacetone or acetone-Et2O mixture. Next, two drops of MeOHsaturated with dry HCl were added and the mixture was leftto crystallize overnight. The chromatographically pure crystalswere filtered off and washed with a small volume of coldacetone-ethyl ether mixture (1:1, v/v). A small amount of theproduct was recrystallized from ethanol or ethanol-acetonemixture elemental analysis.
  • 7
  • [ 4857-04-9 ]
  • [ 700-06-1 ]
  • 2-[(1H-indol-3-yl)methoxy]methyl}-1H-benzoimidazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
35% General procedure: Compounds 13a-13d (5 mmol), anhydrous K2CO3 (1.38g, 10 mmol) and acetone (25 mL) were mixed in 100 mL three-neck round bottomed flask. After heating up to 100C, the solution of compounds 15a, 15b (5 mmol) in 10 mL of acetone was added dropwise, then the mixture was stirred for 8-20 h. Anhydrous K2CO3was filtered off. The filtrate was concentrated in vacuum. The final products 16a-16d were isolated by column chromato-graphy by the eluent ethyl acetate - petroleum ether (1 : 2). 2-[(1H-Indol-3-yl)methoxy]methyl}-1H-benzoimidazole (16a). Khaki color solid, yield 35 %, mp 139-140C. 1H NMR spectrum, delta, ppm: 3.75 s (3H, CH3), 4.64 s (2H, CH2), 5.72 s (2H, CH2), 7.02 t (J = 7.5 Hz, 1H, ArH), 7.11 t (J = 7.5 Hz, 1H, ArH), 7.18 t (J = 7.5 Hz, 1H, ArH), 7.24 t (J = 7.5 Hz, 1H, ArH), 7.37 s (1H, CH-N), 7.51 d (J = 8.0 Hz, 1H, ArH), 7.55 d (J = 8.0 Hz, 1H, ArH), 7.60 d (J = 8.0 Hz, 2H, ArH). HRMS (EI): m/z: calculated 291.1372 for C18H17N3O [M]+, found 291.1377.
  • 8
  • [ 4857-04-9 ]
  • [ 40230-24-8 ]
  • N-((1H-benzo[d]imidazol-2-yl)methyl)-4,6-diphenylpyrimidin-2-amine [ No CAS ]
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