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[ CAS No. 822-48-0 ] {[proInfo.proName]}

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Chemical Structure| 822-48-0
Chemical Structure| 822-48-0
Structure of 822-48-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 822-48-0 ]

CAS No. :822-48-0 MDL No. :MFCD01709552
Formula : C5H9ClO Boiling Point : -
Linear Structure Formula :- InChI Key :MCZYEFODKAZWIH-UHFFFAOYSA-N
M.W : 120.58 Pubchem ID :79112
Synonyms :

Safety of [ 822-48-0 ]

Signal Word:Danger Class:3
Precautionary Statements:P210-P233-P240-P241+P242+P243-P264-P270-P280-P301+P312+P330-P303+P361+P353-P403+P235-P501 UN#:1993
Hazard Statements:H225-H302 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 822-48-0 ]

* 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 [ 822-48-0 ]

[ 822-48-0 ] Synthesis Path-Downstream   1~9

  • 2
  • [ 822-48-0 ]
  • [ 1679-51-2 ]
  • [ 1411986-05-4 ]
YieldReaction ConditionsOperation in experiment
93% With sodium hydride In N,N-dimethyl-formamide at 20℃; Cooling with ice; 1 Preparative Example 1Synthesis of Oxetane-Cyclic EpoxyNaH (6.4 g) and 150 ml of DMF were put in a 500 ml flask and stirred. After temperature was lowered using an ice bath, cyclohexenyl methanol (15 g) was slowly added to the mixture and stirred at room temperature for 15 minutes. After the temperature was lowered using the ice bath again, an oxetane chloride (14.5 g) was slowly added to the mixture for 10 minutes and stirred at room temperature for 2 hours. After completion of reaction, H2O was slowly added to the product to remove the activity of remaining NaH, followed by working-up with ether/H2O three times. MgSO4 was put into an organic layer, followed by filtering and elimination of the solvent using an evaporator, thereby obtaining colorless liquid cyclohexenyl oxetane ether at a yield of 93%.1H NMR (500 MHz, CDCl3): δ=1.25-1.30 (m, 1H), 1.31 (s, 3H), 1.71-1.83 (m, 2H), 1.88-1.97 (m, 1H), 2.04-2.14 (m, 3H), 3.35 (dd, 2H, 5 Hz, 2 Hz), 3.48 (s, 2H), 4.36 (d, 2H, 5.5 Hz), 4.53 (d, 2H, 6 Hz), 5.66-5.67 (m, 2H)
  • 3
  • [ 822-48-0 ]
  • [ 112823-30-0 ]
YieldReaction ConditionsOperation in experiment
With sodium iodide In acetone Inert atmosphere; Reflux; 103 (rac)-7-((3-Methyloxetan-3-yl)methoxy)-4-(4-(trifluoromethyl)phenyl)-6,7-dihydro-5H- cyclopenta [c] pyridine A cooled (0 °C) solution of (rac)-4-(4-(trifluoromethyl)phenyl)-6,7-dihydro-5H- cyclopenta[c]pyridin-7-ol (example 83) (75 mg, 0.27 mmol) in DMF (1.4 mL) was treated with NaH (55% in oil, 18.7 mg, 0.43 mmol) and after h with 3-(iodomethyl)-3-methyloxetane (209 mg, 0.59 mmol, synthesized by refluxing 3-(chloromethyl)-3-methyloxetane with 5 eq. sodium iodide in acetone overnight) in DMF (1 mL). After warming up to room temperature over 5 h, the reaction mixture was poured on aq. 10% KH2P04 solution followed by extraction with Et20 (3 x). The organic phases were washed once with aq. 10%> NaCl solution. The combined organic phases were dried (Na2S04), filtered and purified by flash chromatography (20 g Si02, Telos- cartridge, 1 to 3%) 2-propanol in CH2C12) to give the title compound (28 mg, 29%>) as brown oil. MS: 364.5 (M+H+).
With sodium iodide In acetone Reflux; 103 Example 103 (rac)-7-((3-Methyloxetan-3-yl)methoxy)-4-(4-(trifluoromethyl)phenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine [0581] (rac)-4-(4-(trifluoromethyl)phenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol (example 83) (75 mg, 0.27 mmol) in DMF (1.4 mL) was treated with NaH (55% in oil, 18.7 mg, 0.43 mmol) and after h with 3-(iodomethyl)-3-methyloxetane (209 mg, 0.59 mmol, synthesized by refluxing 3-(chloromethyl)-3-methyloxetane with 5 eq. sodium iodide in acetone overnight) in DMF (1 mL). After warming up to room temperature over 5 h, the reaction mixture was poured on aq. 10% KH2PO4 solution followed by extraction with Et2O (3×). The organic phases were washed once with aq. 10% NaCl solution. The combined organic phases were dried (Na2SO4), filtered and purified by flash chromatography (20 g SiO2, Telos-cartridge, 1 to 3% 2-propanol in CH2Cl2) to give the title compound (28 mg, 29%) as brown oil. MS: 364.5 (M+H+).
  • 4
  • [ 822-48-0 ]
  • [ 307-30-2 ]
  • 3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-PENTADECAFLUORO-OCTYLOXYMETHYL)-3-METHYLOXETANE [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-octanol With sodium hydride In N,N-dimethyl-formamide Stage #2: 3-chloromethyl-3-methyl oxetane In N,N-dimethyl-formamide On the other hand, from alkyl chloride and fluoroalkyl alcohol, hydrogenated sodium as alkali Examples of synthesizing alkyl (fluoroalkyl) ethers using Um (Patent Documents 6 and 7: Example B 3 of Patent Document 6 describes a production method represented by the following general formula ).
  • 5
  • [ 822-48-0 ]
  • [ 1076-22-8 ]
  • 3-methyl-7-((3-methyloxetan-3-yl)methyl)-1H-purine-2,6(3H,7H)-dione [ No CAS ]
YieldReaction ConditionsOperation in experiment
40% 3-Methyl-1H-purine-2,6(3H,7H)-dione (4.00 g, 24.1 mmol) was dissolved in methanol (30 mL). An aqueous solution (15 mL) of potassium hydroxide (1.48 g, 26.5 mmol) was added and the mixture was heated to 80C and stirred for 1.5 hours, and then cooled to 50C. 3-(Chloromethyl)-3-methyloxetane (3.77 g, 31.3 mmol) and potassium iodide (4.80 g, 28.9 mmol) were added and the reaction was stirred at 50C for 24 hours. The reaction solution was cooled to room temperature, filtered, and the filter cake was washed successively with water (30 mL) and methanol (30 mL), and dried to give 3-methyl-7-((3-methyloxetan-3-yl)methyl)-1H-purine-2,6(3H,7H)-dione (2.40 g, as a white solid) with a yield of 40%. 1H NMR: (400 Hz, DMSO-d6) delta 11.18(s, 1H), 8.14(s, 1H), 4.58-4.40(m, 4H), 4.19(d, J = 6.0 Hz, 2H), 3.36(s, 3H), 1.20(s, 3H). MS-ESI calcd. [M + H]+ 251, found 251.
  • 6
  • [ 822-48-0 ]
  • [ 4981-66-2 ]
  • 9,10-bis((3-methyloxetan-3-yl)methyloxy)anthracene [ No CAS ]
YieldReaction ConditionsOperation in experiment
45% With sodium hydroxide; In N,N-dimethyl acetamide; water; at 60℃; for 5h;Inert atmosphere; Synthesis of 9,10-bis {(3-methyloxetan-3-yl) methyloxy} anthracene A thermometer,In a three-necked flask equipped with a stirrer, 2.39 g (11.4 mmol) of 9,10-dihydroxyanthracene,3.6 g (30 mmol) of 3-chloromethyl-3-methyloxetane and 15 g of N, N-dimethylacetamide were added under a nitrogen atmosphere,To the resulting yellow-green solution was added 1.2 g of caustic soda and 6 g of water in water. It quickly turned into a reddish solution.Then,After heating at 60 ° C. for 5 hours,It became a skin color slurry.After cooling to room temperature,Suction filtrationWashingMethanol washing.The obtained wet cake was dried,1.94 g (5.1 mmol) of pale white crystals of 9,10-bis {(3-methyloxetan-3-yl) methyloxy} anthracene was obtained.The isolated yield based on the raw material 9,10-dihydroxyanthracene was 45 molpercent.
  • 7
  • [ 822-48-0 ]
  • [ 90-44-8 ]
  • 9-((3-methyloxetan-3-yl)methyloxy)anthracene [ No CAS ]
YieldReaction ConditionsOperation in experiment
81% With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl acetamide at 60℃; for 6h; Inert atmosphere; 1 Synthetic Example 1 Synthesis of 9 - {(3-methyloxetan-3-yl) methyloxy} anthracene A thermometer,9.7 g (50 mmol) of 9-anthrone,12 g (100 mmol) of 3-chloromethyl-3-methyloxetane, N, N-dimethylacetamideWas added under a nitrogen atmosphere,The resulting pale yellow solutionToAzabicycloundecene10.5 g (70 mmol)ofA 15 g solution of N, N-dimethylacetamide was added dropwise. It quickly became an engineering solution.Heating at 60 ° C. for 6 hours,After cooling to room temperature,It was put into a 3% sulfuric acid aqueous solution.A large yellow precipitate formed.Suction filtration, washing with water and drying,11.2 g (40.3 mmol) of a yellowish white powder of 9 - {(3-methyloxetan-3-yl) methyloxy} anthracene was obtained.The isolated yield based on the raw material 9-anthrone was 81 mol%.
  • 8
  • [ 88938-12-9 ]
  • [ 822-48-0 ]
  • 9,9-bis[4-(3-methyl-3-oxetanyl)methoxy-3-methylphenyl]fluorene [ No CAS ]
YieldReaction ConditionsOperation in experiment
95.7% With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 60 - 100℃; for 13h; 2 Comparative Example 2 BCF (28.4 g, 75 mmol) was dissolved in DMF (168 g), then potassium carbonate (26.3 g, 190 mmol), KI (1.28 g, 7.7 mmol) was added and stirred at 60 ° C. To this solution, 3-chloromethyl-3-methyloxetane (24.87 g, 206 mmol) was added dropwise at 60 ° C. After completion of the dropwise addition, the mixture was heated to 80 ° C. and reacted for 5 hours, and further heated to 100 ° C. And allowed to react for 8 hours. After completion of the reaction, 525 mL of water was added, and extraction with 112 g of ethyl acetate was performed three times. Furthermore, washing with 100 g of water was carried out six times, and the obtained organic phase (ethyl acetate phase) was concentrated under reduced pressure to obtain 39.2 g (yield: 95.7%) of a compound in the form of pale orange crystals.
  • 9
  • [ 822-48-0 ]
  • [ 60290-21-3 ]
  • C12H13ClN2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
General procedure: To a solution of 4-chloro-lH-pyrrolo-[3,2-c]-pyridine [60290-21-3] (2.0 g, 13.1 mmol) dissolved in DMF (30.5 mL, 0.944 g/mL, 393.2 mmol) at 0C was added portionwise sodium hydride (1.1 g, 28.8 mmol). The reaction mixture was allowed to reach rt and stirred 45 min, after which it was re-cooled to 0C and l-bromobutane (2.1 mL, 1.27 g/mL, 19.7 mmol) was added dropwise. The mixture was then allowed to reach rt and stirred overnight. NaHC03 sat solution was added and the aqueous phase was extracted with EtOAc. The combined organic extracts were washed with water and brine, then dried over MgS04 and concentrated in vacuo. The crude residue was purified by column chromatography (silica gel; gradient Heptane/EtOAc from 100/0 to 50 /50) to yield 1-1 (2.7 g, 98.7%) as a yellow liquid
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