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[ CAS No. 1353636-85-7 ] {[proInfo.proName]}

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Product Details of [ 1353636-85-7 ]

CAS No. :1353636-85-7 MDL No. :MFCD20524878
Formula : C10H12ClNO Boiling Point : -
Linear Structure Formula :- InChI Key :GXYJVPQFSRJBFI-UHFFFAOYSA-N
M.W : 197.66 Pubchem ID :95498243
Synonyms :

Safety of [ 1353636-85-7 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1353636-85-7 ]

* 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 [ 1353636-85-7 ]

[ 1353636-85-7 ] Synthesis Path-Downstream   1~16

  • 1
  • [ 1353636-65-3 ]
  • [ 1353636-85-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: diphenyl phosphoryl azide; triethylamine / 1,4-dioxane; <i>tert</i>-butyl alcohol / 2.58 h / 80 °C 2: potassium hydroxide / isopropyl alcohol / 100 °C
  • 2
  • [ 24424-99-5 ]
  • [ 1353636-85-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
1.7 g With triethylamine In tetrahydrofuran at 20℃; for 2h; 13.3 Step 3: tert-butyl (trans- l-(4-chlorophenyl)-3-hydroxycyclobutyl)carbamate: Step 3: tert-butyl (trans- l-(4-chlorophenyl)-3-hydroxycyclobutyl)carbamate: A mixture of the product from Step 2 above (3.81 g, 17.4 mmol, 90% purity) and Et3N (10.8 ml, 77 mmol) was dissolved in THF (60 ml) and treated portionwise with Boc20 (6.71 ml, 28.9 mmol). The resultant solution was stirred at RT for 2 h and then concentrated in vacuo. The residue was partitioned between DCM (80 ml) and saturated NaHC03(aq) (50 ml) and filtered through a phase separation catridge. The organic phase was concentrated in vacuo to afford a yellow oil which partially crystallised upon standing. The residue was triturated with DCM and filtered to afford the title compound (2.39 g, 7.23 mmol, 90% purity) as a cream solid. The filtrate was purified by column chromatography (120 g cartridge, 0-100% EtOAc/isohexane) to afford an additional batch of the title compound (1.70 g, 5.42 mmol, 95% purity) as a cream solid. 1H NMR (400 MHz, DMSO-de) (two rotamers in a 2: 1 ratio) δ 7.39 (d, / = 8.8 Hz, 2H), 7.36 (d, / = 8.8 Hz, 2H), 5.13 (d, / = 6.5 Hz, 1H), 3.94 (br s, 1H), 2.83 - 2.63 (m, 2H), 2.33 - 2.15 (m, 3H), 1.32 (br s, 9H, major), 1.15 (br s, 9H, minor).
  • 3
  • [ 2027535-27-7 ]
  • [ 1353636-85-7 ]
YieldReaction ConditionsOperation in experiment
With potassium hydroxide In isopropyl alcohol at 100℃; 13.2 Step 2: trans-3-amino-3-(4-chlorophenyl)cyclobutanol: Step 2: trans-3-amino-3-(4-chlorophenyl)cyclobutanol: A stirred solution of the product from Step 1 above (4.62 g, 19.6 mmol, 95% purity) in IPA (260 ml) containing 4 MKOH(aq) (258 ml, 1.03 mol) was heated at 100 °C overnight.The solvent was removed in vacuo and the residue partitioned between CHC13 (150 ml) and brine (100 ml). The phases were separated and the organic phase was washed with brine (100 ml) and then filtered through a phase separation cartridge. The filtrate was concentrated in vacuo to afford the title compound (3.81 g, 17.4 mmol, 90% purity) as a sticky pale brown solid. 1H NMR (400 MHz, DMSO- ) δ 7.48 (d, / = 8.6 Hz, 2H), 7.35 (d, / = 8.6 Hz, 2H), 5.01 (br d, / = 5.5 Hz, 1H), 3.85 - 3.71 (m, 1H), 2.79 - 2.64 (m, 2H), 2.15 - 2.00 (m, 4H).
  • 4
  • [ 1353636-85-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: triethylamine / tetrahydrofuran / 2 h / 20 °C 2: ethanaminium,N-(difluoro-λ4-sulfanylidene)-N-ethyl-,tetrafluoroborate; triethylamine tris(hydrogen fluoride) / 1,2-dichloro-ethane / 20 °C / Inert atmosphere 3: palladium diacetate; potassium acetate; XPhos / acetonitrile / 80 °C / Inert atmosphere 4: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / 1,4-dioxane; water / 90 °C / Inert atmosphere
  • 5
  • [ 1353636-85-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1.1: triethylamine / tetrahydrofuran / 2 h / 20 °C 2.1: ethanaminium,N-(difluoro-λ4-sulfanylidene)-N-ethyl-,tetrafluoroborate; triethylamine tris(hydrogen fluoride) / 1,2-dichloro-ethane / 20 °C / Inert atmosphere 3.1: palladium diacetate; potassium acetate; XPhos / acetonitrile / 80 °C / Inert atmosphere 4.1: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / 1,4-dioxane; water / 90 °C / Inert atmosphere 5.1: 1-chloro-1-(dimethylamino)-2-methyl-1-propene / dichloromethane / 2 h / 20 °C 5.2: 20 °C 6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
  • 6
  • [ 1353636-85-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1.1: triethylamine / tetrahydrofuran / 2 h / 20 °C 2.1: ethanaminium,N-(difluoro-λ4-sulfanylidene)-N-ethyl-,tetrafluoroborate; triethylamine tris(hydrogen fluoride) / 1,2-dichloro-ethane / 20 °C / Inert atmosphere 3.1: palladium diacetate; potassium acetate; XPhos / acetonitrile / 80 °C / Inert atmosphere 4.1: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / 1,4-dioxane; water / 90 °C / Inert atmosphere 5.1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 0.5 h / 20 °C 5.2: 50 °C 6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
  • 7
  • [ 1353636-85-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: triethylamine / tetrahydrofuran / 2 h / 20 °C 2: ethanaminium,N-(difluoro-λ4-sulfanylidene)-N-ethyl-,tetrafluoroborate; triethylamine tris(hydrogen fluoride) / 1,2-dichloro-ethane / 20 °C / Inert atmosphere 3: palladium diacetate; potassium acetate; XPhos / acetonitrile / 80 °C / Inert atmosphere 4: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / 1,4-dioxane; water / 5.08 h / 90 °C / Inert atmosphere
  • 8
  • [ 1353636-85-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1.1: triethylamine / tetrahydrofuran / 2 h / 20 °C 2.1: ethanaminium,N-(difluoro-λ4-sulfanylidene)-N-ethyl-,tetrafluoroborate; triethylamine tris(hydrogen fluoride) / 1,2-dichloro-ethane / 20 °C / Inert atmosphere 3.1: palladium diacetate; potassium acetate; XPhos / acetonitrile / 80 °C / Inert atmosphere 4.1: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / 1,4-dioxane; water / 90 °C / Inert atmosphere 5.1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 0.5 h / 20 °C 5.2: 50 °C 6.1: trifluoroacetic acid / dichloromethane / 4 h / 20 °C
  • 9
  • [ 1353636-85-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1: triethylamine / tetrahydrofuran / 2 h / 20 °C 2: ethanaminium,N-(difluoro-λ4-sulfanylidene)-N-ethyl-,tetrafluoroborate; triethylamine tris(hydrogen fluoride) / 1,2-dichloro-ethane / 20 °C / Inert atmosphere 3: palladium diacetate; potassium acetate; XPhos / acetonitrile / 80 °C / Inert atmosphere 4: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / 1,4-dioxane; water / 5.08 h / 90 °C / Inert atmosphere 5: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 50 - 80 °C 6: trifluoroacetic acid / dichloromethane / 2 h / 20 °C
  • 10
  • [ 1353636-85-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: triethylamine / tetrahydrofuran / 2 h / 20 °C 2.1: ethanaminium,N-(difluoro-λ4-sulfanylidene)-N-ethyl-,tetrafluoroborate; triethylamine tris(hydrogen fluoride) / 1,2-dichloro-ethane / 20 °C / Inert atmosphere 3.1: palladium diacetate; potassium acetate; XPhos / acetonitrile / 80 °C / Inert atmosphere 4.1: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / 1,4-dioxane; water / 90 °C / Inert atmosphere 5.1: 1-chloro-1-(dimethylamino)-2-methyl-1-propene / dichloromethane / 2 h / 20 °C 5.2: 20 °C
  • 11
  • [ 1353636-85-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: triethylamine / tetrahydrofuran / 2 h / 20 °C 2.1: ethanaminium,N-(difluoro-λ4-sulfanylidene)-N-ethyl-,tetrafluoroborate; triethylamine tris(hydrogen fluoride) / 1,2-dichloro-ethane / 20 °C / Inert atmosphere 3.1: palladium diacetate; potassium acetate; XPhos / acetonitrile / 80 °C / Inert atmosphere 4.1: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / 1,4-dioxane; water / 90 °C / Inert atmosphere 5.1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 0.5 h / 20 °C 5.2: 50 °C
  • 12
  • [ 1353636-85-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: triethylamine / tetrahydrofuran / 2 h / 20 °C 2.1: ethanaminium,N-(difluoro-λ4-sulfanylidene)-N-ethyl-,tetrafluoroborate; triethylamine tris(hydrogen fluoride) / 1,2-dichloro-ethane / 20 °C / Inert atmosphere 3.1: palladium diacetate; potassium acetate; XPhos / acetonitrile / 80 °C / Inert atmosphere 4.1: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / 1,4-dioxane; water / 90 °C / Inert atmosphere 5.1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 0.5 h / 20 °C 5.2: 50 °C
  • 13
  • [ 1353636-85-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: triethylamine / tetrahydrofuran / 2 h / 20 °C 2: ethanaminium,N-(difluoro-λ4-sulfanylidene)-N-ethyl-,tetrafluoroborate; triethylamine tris(hydrogen fluoride) / 1,2-dichloro-ethane / 20 °C / Inert atmosphere 3: palladium diacetate; potassium acetate; XPhos / acetonitrile / 80 °C / Inert atmosphere 4: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / 1,4-dioxane; water / 5.08 h / 90 °C / Inert atmosphere 5: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 50 - 80 °C
  • 14
  • [ 1353636-85-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: triethylamine / tetrahydrofuran / 2 h / 20 °C 2: ethanaminium,N-(difluoro-λ4-sulfanylidene)-N-ethyl-,tetrafluoroborate; triethylamine tris(hydrogen fluoride) / 1,2-dichloro-ethane / 20 °C / Inert atmosphere
  • 15
  • [ 1353636-85-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: triethylamine / tetrahydrofuran / 2 h / 20 °C 2: ethanaminium,N-(difluoro-λ4-sulfanylidene)-N-ethyl-,tetrafluoroborate; triethylamine tris(hydrogen fluoride) / 1,2-dichloro-ethane / 20 °C / Inert atmosphere 3: palladium diacetate; potassium acetate; XPhos / acetonitrile / 80 °C / Inert atmosphere
  • 16
  • [ 1353636-85-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: triethylamine / tetrahydrofuran / 2 h / 20 °C 2: ethanaminium,N-(difluoro-λ4-sulfanylidene)-N-ethyl-,tetrafluoroborate; triethylamine tris(hydrogen fluoride) / 1,2-dichloro-ethane / 20 °C / Inert atmosphere 3: palladium diacetate; potassium acetate; XPhos / acetonitrile / 80 °C / Inert atmosphere 4: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / 1,4-dioxane; water / 90 °C / Inert atmosphere
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