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[ CAS No. 3946-29-0 ]

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2D
Chemical Structure| 3946-29-0
Chemical Structure| 3946-29-0
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Product Details of [ 3946-29-0 ]

CAS No. :3946-29-0MDL No. :MFCD00000992
Formula : C9H8Cl2O Boiling Point : 344.6°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :203.07Pubchem ID :-
Synonyms :

Computed Properties of [ 3946-29-0 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 3946-29-0 ]

Signal Word:DangerClass:8
Precautionary Statements:P261-P280-P305+P351+P338-P310UN#:3261
Hazard Statements:H314-H335Packing Group:
GHS Pictogram:

Application In Synthesis of [ 3946-29-0 ]

  • Upstream synthesis route of [ 3946-29-0 ]
  • Downstream synthetic route of [ 3946-29-0 ]

[ 3946-29-0 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 3946-29-0 ]
  • [ 42348-86-7 ]
YieldReaction ConditionsOperation in experiment
72% With Et3NHCl-1.8AlCl3 ionic liquid In octane at 70 - 120℃; Ionic liquid In a thermometer,500mL four-neck flask with a stirrer and a condensation device Et3NHCl-1.8AlCl3 50 g ionic liquid (molar ratio 1.8), and 50 g of n-octane, raising the temperature to 70-80 deg.] C under stirring.A solution of 100 g of 3-chloro-1- (4-chlorophenyl) -1-propanone and 100 g of n-octane was slowly added,Raise the temperature to 110-120 ° C,Insulation reaction 3-4 hours,The generated hydrogen chloride gas is withdrawn from the top of the condenser tube and enters the water absorption column for absorption,The reaction process uses chromatographic tracking,The content of 3-chloro-1- (4-chlorophenyl) -1-propanone did not decrease,After the reaction was completed, the material was pumped to a 1000 mL jacketed hydrolysis kettle,Stirring slowly adding 100 grams of water for hydrolysis,The hydrolysis kettle is cooled with circulating water,The feed was maintained at a temperature between 90-95 ,After that,Stop stirring,Liquid into the separatory funnel,Standing to separate the water phase,N-octane phase into the decolorization tank,Conventional decolorization of the material into the crystallization kettle,Cooling to 0-30 ° C crystallization,Centrifugal treatment,drying,That is, 5-chloro-1-indanone finished product 72 grams.The melting point of 92.6-93.5 , 72percent yield.
Reference: [1] Patent: CN106588612, 2017, A, . Location in patent: Paragraph 0018; 0019
[2] Asian Journal of Chemistry, 2012, vol. 24, # 3, p. 1413 - 1414
[3] Bulletin de la Societe Chimique de France, 1973, p. 3096 - 3099
[4] Journal of Materials Chemistry, 2012, vol. 22, # 10, p. 4483 - 4490
[5] Chemical Communications, 2016, vol. 52, # 56, p. 8757 - 8760
  • 2
  • [ 3946-29-0 ]
  • [ 33781-38-3 ]
Reference: [1] Bulletin de la Societe Chimique de France, 1973, p. 3096 - 3099
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