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Chemical Structure| 70737-12-1 Chemical Structure| 70737-12-1

Structure of 70737-12-1

Chemical Structure| 70737-12-1

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Product Details of [ 70737-12-1 ]

CAS No. :70737-12-1
Formula : C3H7Cl2NO
M.W : 144.00
SMILES Code : N=C(OC)CCl.[H]Cl
MDL No. :MFCD16621446
InChI Key :ZPKRTCMWHONHLA-UHFFFAOYSA-N
Pubchem ID :12680765

Safety of [ 70737-12-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312

Application In Synthesis of [ 70737-12-1 ]

* 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.

  • Downstream synthetic route of [ 70737-12-1 ]

[ 70737-12-1 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 70737-12-1 ]
  • [ 95-55-6 ]
  • [ 41014-43-1 ]
  • 2
  • [ 4138-26-5 ]
  • [ 70737-12-1 ]
  • [ 109383-82-6 ]
YieldReaction ConditionsOperation in experiment
In methanol; (1) 2-[(3RS)-3-Carbamoylpiperidin-1-yl]-2-iminoethylchloride hydrochloride 1.28 g of (3RS)-3-carbamoylpiperidine were added to a solution of 1.44 g of methyl 2-chloroacetimidate hydrochloride in 5 ml of anhydrous methanol, and the mixture was stirred at room temperature for 2 hours.
  • 3
  • N<SUP>4</SUP>-semicarbazide hydrochloride [ No CAS ]
  • [ 70737-12-1 ]
  • [ 252742-72-6 ]
YieldReaction ConditionsOperation in experiment
60% In methanol; for 70h; Into a mechanically stirred reactor, 3.02 kg (40 mol) of chloroacetonitrile was introduced.Methanol (moisture content 0.05percent)1.28kg (40mol) and 33kg of methyl tert-butyl ether,Cool down to 2 ° C,Controlling a slow and uniform flow of 1.6 kg (44 mol) of dry HCl gas below this temperature,After the ventilation is completed,After stirring for 15 h, a large amount of white needle crystals were formed;The filter residue was filtered to obtain iminochloroethyl methyl ether hydrochloride.18kg of methanol was placed in the reaction kettle.Stirring to 50 ° C, then adding 6.1 kg of the iminochloroethyl methyl ether hydrochloride,And maintaining the reaction at 45 ° C for 2.5 hours;The reaction solution was stirred and cooled to 0 ° C.Filtered; the filtrate was stirred and warmed to 20 ° C.Adding 0.9 kg (8.07 mol) of semicarbazide hydrochloride,And maintaining the reaction at this temperature for 70 hours;The reaction solution was filtered, and the filtrate was concentrated to dryness under reduced pressure at 50 ° C to 50 ° C.The obtained solid was added with 6.5 kg of isopropanol.Heat and reflux for 30 min,The filtrate was filtered while hot, and the filtrate was cooled and crystallized at 5 ° C.Made of white fine needle crystals,Is 3-chloromethyl-1,2,4-triazolin-5-one, filtered,Drying at 50 ° C under vacuum to obtain a white powdery solid3-chloromethyl-1,2,4-triazolin-5-one 0.64kg,The total molar yield (based on semicarbazide hydrochloride) is 60percent,The HPLC purity was 99.3percent,
 

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