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Chemical Structure| 38771-21-0 Chemical Structure| 38771-21-0

Structure of 38771-21-0

Chemical Structure| 38771-21-0

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Product Details of [ 38771-21-0 ]

CAS No. :38771-21-0
Formula : C4H5Br
M.W : 132.99
SMILES Code : C#CCCBr
MDL No. :MFCD10000883
InChI Key :XLYOGWXIKVUXCL-UHFFFAOYSA-N
Pubchem ID :11073464

Safety of [ 38771-21-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H226-H301-H317
Precautionary Statements:P210-P233-P240-P241-P242-P243-P261-P264-P270-P272-P280-P301+P310+P330-P303+P361+P353-P333+P313-P370+P378-P403+P235-P405-P501
Class:3(6.1)
UN#:1992
Packing Group:

Application In Synthesis of [ 38771-21-0 ]

* 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 [ 38771-21-0 ]

[ 38771-21-0 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 745017-94-1 ]
  • [ 38771-21-0 ]
  • C43H69N5O8 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium hydride; at 60℃; for 4h; to the solution of MMAF (2.7mmuol) in dry DMF (0.6ml) was added NaH (54mumol) and 4-bromo-1-butyne (27mumol) . The mixture was stirred at 60°C for 4 hours. Reaction was quenched by adding dry methanol (0.2ml)
  • 2
  • [ 38771-21-0 ]
  • [ 1023595-19-8 ]
  • [ 144-62-7 ]
  • tert-butyl 2-(but-3-ynyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate oxalic acid salt [ No CAS ]
YieldReaction ConditionsOperation in experiment
Preparation of tert-butyl 4-but-3-ynyl-4,9-diazaspiro[5.5]undecane-9-carboxylate; oxalic acid Charge in order, 23.7 g of CH3CN, 10 g of tert-butyl 4,9-diazaspiro[5.5]undecane-9-carboxylate, 9.2 g of K2CO3 then 8.4 g of 4-bromobut-1-yne to R1. Heat the mixture to 65-70 C. and stir the mixture at 65-70 C. for 12-18 hours. Concentrate the mixture to a total weight of 30-40 g below 50 C., then add 76 g of MTBE and 50 g of water. Stir the mixture at 20-25 C. for 30 mins then allow to stand to 30 mins Separate the aqueous. Preopare a solution of 1 g of KOH in 49 g of water and add this to the organic layer at 20-25 C. Stir the mixture at 20-25 C. for 30 mins then allow to stand for 20-30 mins at 20-25 C. Separate the aqueous layer out and wash the organics with 50 g of water. Concentrate the organic phase to 40-50 g total weight below 50 C. in R1. Prepare a solution of 7.4 g of oxalic acid dihydrate in 39.5 g of acetone, then add drop wise the oxalic acid/acetone solution into R1 at 20-25 C. Stir the suspension at 20-25 C. for 2-3 hours then filter. Wash the cake with 15.2 g of MTBE. Slurry the cake in 89 g of THF and stir the mixture at 50 C. for 6-8 hours. Cool the mixture to 20-25 C. and filter. Wash the cake with 17.8 g of THF. Again, slurry the cake in 89 g of THF and stir the mixture at 50 C. for 6-8 hours. Cool the mixture to 20-25 C. and filter. Wash the cake with 17.8 g of THF. Dry the cake under vacuum at 50-60 C. for 16-18 hours to provide the title compound, tert-butyl 4-but-3-ynyl-4,9-diazaspiro[5.5]undecane-9-carboxylate; oxalic acid.
  • 3
  • [ 38771-21-0 ]
  • [ 17374-26-4 ]
  • 4,5,6,7-tetrabromo-1-(but-3-yn-1-yl)-1H-benzo[d][1,2,3]triazole [ No CAS ]
  • 4,5,6,7-tetrabromo-2-(but-3-yn-1-yl)-2H-benzo[d][1,2,3]triazole [ No CAS ]
  • 4
  • [ 38771-21-0 ]
  • [ 10357-07-0 ]
  • C15H12FN3O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
DMF (20 ml) was added through a septum to an argon-purgedflask containing 4-<strong>[10357-07-0]N-benzoyl-5-fluorocytosine</strong> (600 mg, 2.6 mmol)and K2CO3 (427 mg, 3.1 mmol) and the resulting suspension wasstirred at 80 C for 20 min. Then a 4-bromo-1-butyne (277 ll,3.1 mmol) was added to the solution. The mixture was stirred at80 C for 16 h. DMF was co-evaporated with toluene under reducedpressure. The crude reaction mixture was redissolved in CHCl3 andseparated using flash column chromatography on silica gel withgradient CH2Cl2 to 8% MeOH in 40 CV. Dried product was directlyused in the following reaction with methanolic ammonia (20 ml)at ambient temperature. After 16 h NH3 and MeOH were evaporatedunder reduced pressure and the product was isolated by flashcolumn chromatography on silica gel with gradient from CH2Cl2 to7% MeOH in 16 CV to give the product 2b as white solid in 39%yield (184 mg, 1 mmol).
  • 5
  • [ 38771-21-0 ]
  • [ 19362-77-7 ]
  • C20H18S3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
67% To a 500 mL round bottom flask equipped with a stir bar was added 25 g (100 mmol) of 4,4'-thiobisbenzenethiol and 15 mL of DMF, followed by addition of an aqueous NaOH solution (10 g in 100 mL of water). The resulting suspension was cooled in an ice bath. To the suspension (still in an ice bath) was added 33 g (250 mmol) of 4-bromobutan-1-yne dropwise. The suspension was then warmed to room temperature. The resulting mixture will be cloudy,It was observed to solidify into a light gray solid after stirring for 1 hour. This solid can be easily pulverized with a glass rod. Add another 50 mL of EtOAc, It was allowed to stir overnight under nitrogen. the suspension was then diluted with additional EtOAc. The organic portion was extracted using a separatory funnel. the organic layer was then washed twice with 25 mL of 1 N NaOH. It was then washed three times with water and then with brine. The organic phase was then dried over sodium sulfate (Na2SO4), filtered and concentrated using a rotary evaporator. The product was obtained as an off white solid (23.6 g, 67% yield).
 

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