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Chemical Structure| 503058-51-3 Chemical Structure| 503058-51-3

Structure of 503058-51-3

Chemical Structure| 503058-51-3

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Product Details of [ 503058-51-3 ]

CAS No. :503058-51-3
Formula : C7H8Cl3NO
M.W : 228.50
SMILES Code : COC1=C(Cl)C=CN=C1CCl.[H]Cl
MDL No. :MFCD08445628

Safety of [ 503058-51-3 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H315-H318-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P403+P233-P405-P501
Class:8
UN#:1759
Packing Group:

Application In Synthesis of [ 503058-51-3 ]

* 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.

  • Downstream synthetic route of [ 503058-51-3 ]

[ 503058-51-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 503058-51-3 ]
  • [ 97963-62-7 ]
  • [ 368890-20-4 ]
YieldReaction ConditionsOperation in experiment
92% With sodium hydroxide; In water; toluene; at 55 - 65℃; for 4 - 6h; At 55-65 0C, a solution of 4-chloro-2-chloromethyl-3-methoxypyridinium chloride (10.0 kg, 43.8 mol) in water (20 L) was added over 2-3 h to a mixture of 5-difluoromethoxy-1 H-benzimidazole-2-thiol (8.84 kg, 40.9 mol), toluene (43 L), water (21 L) and 40% aqueous NaOH (10.3 kg, 103 mol). Stirring at 60 0C was continued for 2-3 h before the reaction mixture was cooled to 10-15 0C. The precipitate was centrifuged off, washed with toluene (16 L) and re-pulped in water (122 L). Centrifugation followed by an aqueous rinse (32 L) and drying at 35 0C in vacuo gave 5-difluoromethoxy-2-[(4-chloro-3-methoxy- 2-pyridinyl)methylthio]-1 H-benzimidazole mono hydrate (KF = 4.6%) as an off-white solid (m. p. 95-99 0C); yield 14.2 kg (92%). EPO <DP n="18"/>- -1H-NMR (200 MHz, DMSO-d6): delta= 3.55 (br s, NH + H2O), 3.92 (s, 3H), 4.79 (s, 2H), 6.97 (dd, 8.6 Hz, 2.3 Hz, 1 H), 7.16 (t, 74.8 Hz, 1 H), 7.28 (d, 2.2 Hz, 1 H), 7.47 (d, 8.7 Hz, 1 H), 7.55 (d, 5.3 Hz, 1 H), 8.25 (d, 5.2 Hz, 1 H); LC-MS: MH+ = 372/374.
 

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