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Product Details of [ 412004-56-9 ]

CAS No. :412004-56-9 MDL No. :MFCD12138829
Formula : C10H11BrO Boiling Point : -
Linear Structure Formula :- InChI Key :BDORYRCLPQIWHR-UHFFFAOYSA-N
M.W : 227.10 Pubchem ID :15625752
Synonyms :

Safety of [ 412004-56-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501 UN#:N/A
Hazard Statements:H302-H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 412004-56-9 ]

* 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 [ 412004-56-9 ]

[ 412004-56-9 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 106-41-2 ]
  • [ 5911-08-0 ]
  • [ 412004-56-9 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate In N,N-dimethyl-formamide at 80℃; XVI.1 1-Bromo-4-cyclopropylmethoxybenzene 5.0 g (28.9 mmol) 4-bromophenol, 3.93 g (43.4 mmol) (chloromethyl)cyclopropane and 7.99 g (57.8 mmol) K2CO3 are added to 10 mL DMF and stirred at 80° C over night. Afterwards the reaction mixture is diluted with water and extracted with DCM. The organic layer is dried with MgSO4 and the solvent is removed in vacuo.C10H11BrO (M= 227.1 g/mol)EI-MS: 226/228 [M]+ (HPLC): 8.16 min (method J)
With potassium carbonate In N,N-dimethyl-formamide at 80℃; XVI.1 Example XVI.1 Example XVI.1 (General Route) 1-Bromo-4-cyclopropylmethoxybenzene 5.0 g (28.9 mmol) 4-bromophenol, 3.93 g (43.4 mmol) (chloromethyl)cyclopropane and 7.99 g (57.8 mmol) K2CO3 are added to 10 mL DMF and stirred at 80° C. over night. Afterwards the reaction mixture is diluted with water and extracted with DCM. The organic layer is dried with MgSO4 and the solvent is removed in vacuo. C10H11BrO (M=227.1 g/mol) ESI-MS: 226/228 [M]+Rt (HPLC): 8.16 min (method J)
With potassium carbonate In N,N-dimethyl-formamide at 80℃; VIII.1 Example VIII.1 (General Route)
1-Bromo-4-cyclopropylmethoxybenzene Example VIII.1 (General Route) 1-Bromo-4-cyclopropylmethoxybenzene 5.0 g (28.9 mmol) 4-bromophenol, 3.93 g (43.4 mmol) (chloromethyl)cyclopropane and 7.99 g (57.8 mmol) K2CO3 are added to 10 mL DMF and stirred at 80° C. over night. Afterwards the reaction mixture is diluted with water and extracted with DCM. The organic layer is dried with MgSO4, filtered and the solvent is removed in vacuo. C10H11BrO (M=227.1 g/mol) EI-MS: 226/228 [M]+Rt (HPLC): 8.16 min (method J)
With potassium carbonate In N,N-dimethyl-formamide at 80℃; VIII.1 Example VIII. Example VIII.1 (general route) 1 -bromo-4-cyclopropylmethoxyben 5.0 g (28.9 mmol) 4-bromophenol, 3.93 g (43.4 mmol) (chloromethyl)cyclopropane and 7.99 g (57.8 mmol) K2CO3 are added to 10 mL DMF and stirred at 80°C over night. Afterwards the reaction mixture is diluted with water and extracted with DCM. The organic layer is dried with MgSO4, filtered and the solvent is removed in vacuo. CioHn BrO (M= 227.1 g/mol) EI-MS: 226/228 [M]+ Rt (HPLC): 8.16 min (method J) The following compounds are prepared analogously to example VI 11.1 For example VIII.2 the reaction temperature is 120 °C.
With potassium carbonate In N,N-dimethyl-formamide at 80℃; XVI.1 5.0 g (28.9 mmol) 4-bromophenol, 3.93 g (43.4 mmol) (chloromethyl)cyclopropane and 7.99 g (57.8 mmol) K2CO3 are added to 10 mL DMF and stirred at 80° C. over night. Afterwards the reaction mixture is diluted with water and extracted with DCM. The organic layer is dried over MgSO4 and the solvent is removed in vacuo. [0407] C10H11BrO (M=227.1 g/mol) [0408] EI-MS: 226/228 [M]+ [0409] Rt (HPLC): 1.20 min (method C)
With potassium carbonate In N,N-dimethyl-formamide at 80℃; XVI.XVI.1 Example XVI.1 (general route) 1 -Bromo-4-cvclopropylmethoxybenzene General procedure: Example XVI.1 (general route) 1 -Bromo-4-cvclopropylmethoxybenzene 5.0 g (28.9 mmol) 4-bromophenol, 3.93 g (43.4 mmol) (chloromethyl)cyclopropane and 7.99 g (57.8 mmol) K2CO3 are added to 10 mL DMF and stirred at 80°C over night. Afterwards the reaction mixture is diluted with water and extracted with DCM. The organic layer is dried over MgSO4 and the solvent is removed in vacuo. CioHn BrO (M= 227.1 g/mol) EI-MS: 226/228 [M]+ Rt (HPLC): 1 .20 min (method C)

  • 2
  • [ 412004-56-9 ]
  • [ 207113-36-8 ]
  • [ 1594131-09-5 ]
YieldReaction ConditionsOperation in experiment
Stage #1: 4-bromo-1-(cyclopropylmethoxy)benzene; (S)-3-((tert-butyldimethylsilyl)oxy)pyrrolidine With tris-(dibenzylideneacetone)dipalladium(0); johnphos; sodium t-butanolate In 1,4-dioxane at 45℃; Inert atmosphere; Stage #2: With trifluoroacetic acid In dichloromethane at 20℃; for 2h; XXVIII.a a) 5.65 g (24.9 mmol) of example XVI.1, 5.01 g (24.9 mmol) of (S)-3-(tert-butyldimethylsilyloxy)pyrrolidine (J. Org. Chem. 1994, 59, 6170-6172) and 9.87 g (99.6 mmol) NaOtBu are added to 50 mL dioxane. Then 2.95 g (9.90 mmol) 2-(di-tert-butylphosphino)biphenyl and 2.20 g (2.40 mmol) Pd2(dba)3 are added and the resulting mixture is stirred at 45° C. over night under inert gas atmosphere. Then the solvent is removed in vacuo and the residue is taken up in EtOAc, washed with water (2×), dried over Na2SO4, filtered and the solvent is removed in vacuo. The residue is purified by column chromatography (silica gel; PE/EtOAc 95/5-80/20) and HPLC (MeOH/H2O/TFA). To the resulting intermediate is added DCM and TFA and the mixture is stirred at r.t. for 2 h. Then the solvent is removed in vacuo. [0508] C14H19NO2 (M=233.3 g/mol) [0509] ESI-MS: 234 [M+H]+ [0510] Rt (HPLC): 0.83 min (method E)
  • 3
  • [ 412004-56-9 ]
  • [ 207113-36-8 ]
  • C20H33NO2Si [ No CAS ]
YieldReaction ConditionsOperation in experiment
With tris-(dibenzylideneacetone)dipalladium(0); johnphos; sodium t-butanolate In 1,4-dioxane at 45℃; Inert atmosphere; XXVIII.a Example XXVIII (S)-1 -(4-(Cvclopropylmethoxy)phenyl)pyrrolidin-3-yl-methanesulfonate Example XXVIII (S)-1 -(4-(Cvclopropylmethoxy)phenyl)pyrrolidin-3-yl-methanesulfonate a) 5.65 g (24.9 mmol) of example XVI.1 , 5.01 g (24.9 mmol) of (S)-3-(ferf- butyldimethylsilyloxy)pyrrolidine (J. Org. Chem. 1994, 59, 6170-6172) and 9.87 g (99.6 mmol) NaOtBu are added to 50 mL dioxane. Then 2.95 g (9.90 mmol) 2-(di-fert- butylphosphino)biphenyl and 2.20 g (2.40 mmol) Pd2(dba)3 are added and the resulting mixture is stirred at 45 °C over night under inert gas atmosphere. Then the solvent is removed in vacuo and the residue is taken up in EtOAc, washed with water (2x), dried over Na2SO4, filtered and the solvent is removed in vacuo. The residue is purified by column chromatography (silica gel; PE/EtOAc 95/5 -> 80/20) and HPLC (MeOH/H2O/TFA). To the resulting intermediate is added DCM and TFA and the mixture is stirred at r.t. for 2 h. Then the solvent is removed in vacuo. Ci4Hi9NO2 (M= 233.3 g/mol) ESI-MS: 234 [M+H]+ Rt (HPLC): 0.83 min (method E)
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