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[ CAS No. 1118916-80-5 ]

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2D
Chemical Structure| 1118916-80-5
Chemical Structure| 1118916-80-5
Structure of 1118916-80-5 *Storage: {[proInfo.prStorage]}

Quality Control of [ 1118916-80-5 ]

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Alternatived Products of [ 1118916-80-5 ]

Product Details of [ 1118916-80-5 ]

CAS No. :1118916-80-5MDL No. :N/A
Formula : C23H29ClN2 Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :368.94Pubchem ID :-
Synonyms :

Computed Properties of [ 1118916-80-5 ]

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

Safety of [ 1118916-80-5 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313UN#:N/A
Hazard Statements:H315-H319Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1118916-80-5 ]

  • Downstream synthetic route of [ 1118916-80-5 ]

[ 1118916-80-5 ] Synthesis Path-Downstream   1~7

  • 1
  • C23H31N2O(1+)*Cl(1-) [ No CAS ]
  • [ 1118916-80-5 ]
YieldReaction ConditionsOperation in experiment
985 mg With hydrogenchloride; acetic anhydride In water; toluene at 90℃; for 13.5h;
  • 2
  • [ 12112-67-3 ]
  • [ 1118916-80-5 ]
  • ((CH3)2C3N2(C6H2(CH3)3)2)Ir(C8H12)Cl [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% With KO-t-Bu In tetrahydrofuran imidazolium salt, KO-t-Bu and Ir complex reacted in THF at room temp. for 16 h;
  • 3
  • [ 124-38-9 ]
  • [ 1118916-80-5 ]
  • [ 1188360-03-3 ]
YieldReaction ConditionsOperation in experiment
75% Stage #1: 4,5-dimethyl-1,3-bis-(2,4,6-trimethylphenyl)-3H-imidazol-1-ium chloride With potassium hexamethylsilazane In toluene for 2h; Inert atmosphere; Stage #2: carbon dioxide In tetrahydrofuran; toluene at 20℃;
  • 4
  • [ 1118916-80-5 ]
  • [ 2923-28-6 ]
  • [ 1188905-46-5 ]
YieldReaction ConditionsOperation in experiment
99% In dichloromethane at 20℃; for 1h;
  • 5
  • [ 1118916-80-5 ]
  • [ 848085-28-9 ]
YieldReaction ConditionsOperation in experiment
72% With potassium <i>tert</i>-butylate In tetrahydrofuran at 20℃; for 1h; Glovebox; Inert atmosphere;
  • 6
  • [ 88-05-1 ]
  • [ 1118916-80-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: acetic acid / neat (no solvent) / 3 h / 160 °C 2.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 24 h / 110 °C 2.2: 15 h / 90 °C
Multi-step reaction with 2 steps 1: formic acid / methanol; water / 48 h / 0 - 20 °C 2: hydrogenchloride / 1,4-dioxane; ethyl acetate / 8 h / 20 °C
Multi-step reaction with 2 steps 1: formic acid / methanol / 24 h / 20 °C 2: hydrogenchloride / 1,4-dioxane / 3 h / Milling; Green chemistry
Multi-step reaction with 2 steps 1.1: acetic acid / 3.5 h / 140 - 160 °C 2.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 20 h / 110 °C 2.2: 13.5 h / 90 °C

  • 7
  • [ 75105-48-5 ]
  • [ 4091-39-8 ]
  • [ 1118916-80-5 ]
YieldReaction ConditionsOperation in experiment
89% Stage #1: N,N'-dimesitylformamidine; 3-chloro-2-butanone With N-ethyl-N,N-diisopropylamine In acetonitrile at 110℃; for 20h; Stage #2: With hydrogenchloride; acetic anhydride In water; toluene at 90℃; for 13.5h; The product A (3.0mmol, 841mg, 1 equiv) obtained in the previous step,Acetonitrile (6.0mL) was placed in a 25mL round bottom flask,Then add diisopropylethylamine (3.6mmol, 0.59mL, 1.2equiv)And 3-chloro-2-butanone (6.0mmol, 0.61mL, 2equiv)Add dropwise to a round bottom flask, and stir the reaction solution at 110° C. for 20 h.The progress of the reaction was monitored by TLC (CH2Cl2/MeOH = 10:1).After the raw materials are reacted, the low boiling solvent is removed by rotary evaporation.Dissolve the residue in toluene (7.6mL),In acetic anhydride (9.0 mmol, 0.85 mL, 3 equiv) and 0.38 mL of 37% hydrochloric acid (4.5 mmol HCl, 1.5 equiv), the mixture was stirred at 90° C. for 13.5 h. After the completion of the reaction, the reaction was monitored by TLC (CH2Cl2/MeOH=10:1). The mixture was transferred to a separatory funnel containing CH2Cl2/H2O=1:1 (100 mL). After the two phases were separated, the aqueous layer was extracted with CH2Cl2 (3 times×50mL/time), the organic phases were combined, dried over anhydrous magnesium sulfate, filtered, and the crude product was spin-dried. After that, it was separated by column chromatography. The target product (CH2Cl2 :MeOH=10:1, Rf=0.6), the solvent was removed by a rotary evaporator to obtain the target product B as a white solid (985 mg, 89%).
68% Stage #1: N,N'-dimesitylformamidine; 3-chloro-2-butanone With N-ethyl-N,N-diisopropylamine In acetonitrile at 110℃; for 24h; Stage #2: With hydrogenchloride; acetic anhydride In water; toluene; acetonitrile at 90℃; for 15h;
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