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Chemical Structure| 115-18-4 Chemical Structure| 115-18-4

Structure of 115-18-4

Chemical Structure| 115-18-4

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Product Details of [ 115-18-4 ]

CAS No. :115-18-4
Formula : C5H10O
M.W : 86.13
SMILES Code : CC(O)(C)C=C
MDL No. :MFCD00004470
InChI Key :HNVRRHSXBLFLIG-UHFFFAOYSA-N
Pubchem ID :8257

Safety of [ 115-18-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225-H302-H315-H319
Precautionary Statements:P210-P233-P240-P241-P242-P243-P264-P270-P280-P301+P312+P330-P303+P361+P353-P305+P351+P338-P332+P313-P337+P313-P370+P378-P403+P235-P501
Class:3
UN#:1987
Packing Group:

Application In Synthesis of [ 115-18-4 ]

* 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 [ 115-18-4 ]

[ 115-18-4 ] Synthesis Path-Downstream   1~6

  • 3
  • [ 115-18-4 ]
  • (E)-tert-butyl([2-(2-phenylethynyl)phenyl]methylidene})amine [ No CAS ]
  • [ 37993-76-3 ]
  • (E)-2-methyl-4-(3-phenylisoquinolin-4-yl)-3-buten-2-ol [ No CAS ]
  • 4
  • [ 115-18-4 ]
  • [ 72824-04-5 ]
  • (Z)-2-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)but-3-enyl-2-ol [ No CAS ]
  • [ 581802-26-8 ]
  • 5
  • [ 115-18-4 ]
  • [ 108-24-7 ]
  • [ 615-67-8 ]
  • [ 1384167-21-8 ]
  • [ 1384167-20-7 ]
YieldReaction ConditionsOperation in experiment
7.1%; 3.5% General procedure: 2,3,6-Tri<strong>[615-67-8]chlorohydroquinone</strong> or 2,6-di<strong>[615-67-8]chlorohydroquinone</strong> were synthesized from the corresponding polychlorophenols using PbO2 with HClO4 in acetic acid,40 followed by reduction of the polychloro-p-benzoquinone ether solution with aqueous Na2S2O4 in a separatory funnel.A solution of the corresponding <strong>[615-67-8]chlorohydroquinone</strong> in distilled formic acid was refluxed for 1 h under a nitrogen atmosphere. 2-Methyl-3-buten-2-ol (4.8 equiv for compound 2; 1.3 equiv for 3, 4 and 5) in distilled tetrahydrofuran was added dropwise over 2-4 h, and the solution was refluxed overnight under a nitrogen atmosphere. The reaction mixture was poured into crushed ice and extracted twice with CH2Cl2. The combined organic phase was serially washed with water, saturated NaHCO3 aqueous solution, and water. The organic phase was dried over Na2SO4, filtered, and evaporated to yield a brown oil, which was dissolved in methanol, combined with concentrated HCl, and refluxed for 1 h. The methanol was evaporated to yield crude product, extracted with CH2Cl2, washed with water, dried over Na2SO4, filtered, and evaporated. The crude product was fractionated by silica gel column chromatography. A fraction was dissolved in excesses of pyridine and acetic anhydride and stirred at room temperature for 5 h. Water was added to the reaction mixture, and samples were extracted three times with diethyl ether following neutralization with saturated Na2CO3 aqueous solution. The combined organic phase was serially washed with water, 5% HCl, water, saturated NaHCO3 aqueous solution, and water. It subsequently was dried over Na2SO4, filtered, and evaporated to give an oil. The residue was purified by silica gel column chromatography.
  • 6
  • [ 115-18-4 ]
  • [ 1849-76-9 ]
  • 8-chloro-2,2-dimethyl-2H-chromene-6-carbaldehyde [ No CAS ]
YieldReaction ConditionsOperation in experiment
70% With palladium diacetate; silica gel; potassium carbonate; In N,N-dimethyl-formamide; at 140.0℃; for 15.0h; General procedure: A mixture of o-halophenol (1 equiv.), Pd(OAc)2 (10 mol%), K2CO3(3 equiv.),and 2-methyl-3-buten-2-ol (10 equiv.) in DMF (1 mL per mmol) in a pressure tubewas heated to 140 C for 6-8 h. The reaction was monitored by TLC until the startingmaterial was completely consumed. Then, silica gel (20 equiv.) was added to thereaction mixture, followed by heating at 140 C for another 4-16 h to give the desired2,2-dimethyl-2H-chromenes.
 

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