Alternatived Products of [ 1017779-49-5 ]
Product Details of [ 1017779-49-5 ]
| CAS No. : | 1017779-49-5 |
MDL No. : | MFCD09832366 |
| Formula : |
C8H4F3NO
|
Boiling Point : |
- |
| Linear Structure Formula : | - |
InChI Key : | - |
| M.W : |
187.12
|
Pubchem ID : | - |
| Synonyms : |
|
Safety of [ 1017779-49-5 ]
| Signal Word: | |
Class: | |
| Precautionary Statements: | |
UN#: | |
| Hazard Statements: | |
Packing Group: | |
Application In Synthesis of [ 1017779-49-5 ]
* 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 [ 1017779-49-5 ]
- 1
-
[ 1017779-49-5 ]
-
[ 60-34-4 ]
-
[ 1192813-39-0 ]
| Yield | Reaction Conditions | Operation in experiment |
| 44% |
at 50℃; for 5h; |
31.A
Step A: 6-(Difluoromethoxy)-1-methyl-1H-indazol-3-amine To 4-(difluoromethoxy)-2-fluorobenzonitrile (1 g, 5.3 mmol) was added methylhydrazine (4.92 g, 107 mmol). The mixture was heated to 50° C. for 5 hours and then cooled to room temperature. The crude product was purified by column chromatography (40-100% ethyl acetate/hexanes) to afford 6-(difluoromethoxy)-1-methyl-1H-indazol-3-amine (0.5 g, 2.35 mmol, 44% yield) as a white powder. 1H NMR (500 MHz, DMSO-d6) δ ppm 7.70 (d, J=8.55 Hz, 1H), 7.14 (s, 1H), 6.73 (d, J=8.55 Hz, 1H), 5.49 (s, 1H), 3.70 (s, 3H). |
| 44% |
at 50℃; for 5h; |
31.A
Step A: 6-(difluoromethoxy)-1-methyl-1H-indazol-3-amine To 4-(difluoromethoxy)-2-fluorobenzonitrile (1 g, 5.3 mmol) was added methylhydrazine (4.92 g, 107 mmol). The mixture was heated to 50 °C for 5 hours and then cooled to room temperature. The crude product was purified by column chromatography (40-100% ethyl acetate/hexanes) to afford 6-(difluoromethoxy)-l- methyl- lH-indazol-3 -amine (0.5 g, 2.35 mmol, 44 % yield) as a white powder. XH NMR (500 MHz, DMSO-d6) δ ppm 7.70 (d, J=8.55 Hz, 1 H), 7.14 (s, 1 H), 6.73 (d, J=8.55 Hz, 1 H), 5.49 (s, 1 H), 3.70 (s, 3 H). |
- 2
-
[ 1017779-49-5 ]
-
[ 51943-20-5 ]
-
[ 1192813-39-0 ]
| Yield | Reaction Conditions | Operation in experiment |
| 44% |
at 50℃; for 5h; |
31.A Step A:6-(Difluoromethoxy)-1-methyl-1H-indazol-3-amine
To 4-(difluoromethoxy)-2-fluorobenzonitrile (1 g,5.3 mmol) was added methylhydrazine (4.92 g, 107 mmol).The mixture was heated to 50° C. for 5 hours and then cooled to room temperature. The crude product was purified by colunmchromatography (40-100% ethyl acetate/hexanes) toafford 6-(difluoromethoxy)-1-methyI-1H-indazol-3-amine(0.5 g, 2.35 mmol, 44% yield) as a white powder. |
- 3
-
[ 1017779-49-5 ]
-
2-((1-(4-(difluoromethoxy)-2-fluorophenyl)cyclopropyl)amino)pyrimidine-5-carbonitrile
[ No CAS ]
| Yield | Reaction Conditions | Operation in experiment |
|
Multi-step reaction with 2 steps
1.1: titanium(IV) isopropylate / tetrahydrofuran; diethyl ether / 2 h / -78 - 20 °C
1.2: 14 h / 0 - 20 °C
2.1: N-ethyl-N,N-diisopropylamine / ethanol / 14 h / 90 °C |
|
- 4
-
[ 1017779-49-5 ]
-
N-(1-(4-(difluoromethoxy)-2-fluorophenyl)cyclopropyl)-5-(1H-tetrazol-5-yl)pyrimidin-2-amine
[ No CAS ]
| Yield | Reaction Conditions | Operation in experiment |
|
Multi-step reaction with 3 steps
1.1: titanium(IV) isopropylate / tetrahydrofuran; diethyl ether / 2 h / -78 - 20 °C
1.2: 14 h / 0 - 20 °C
2.1: N-ethyl-N,N-diisopropylamine / ethanol / 14 h / 90 °C
3.1: sodium azide; ammonium chloride; lithium chloride / N,N-dimethyl-formamide / 14 h / 100 °C |
|
- 5
-
[ 1017779-49-5 ]
-
N-(1-(4-(difluoromethoxy)-2-fluorophenyl)cyclopropyl)-5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine
[ No CAS ]
| Yield | Reaction Conditions | Operation in experiment |
|
Multi-step reaction with 4 steps
1.1: titanium(IV) isopropylate / tetrahydrofuran; diethyl ether / 2 h / -78 - 20 °C
1.2: 14 h / 0 - 20 °C
2.1: N-ethyl-N,N-diisopropylamine / ethanol / 14 h / 90 °C
3.1: sodium azide; ammonium chloride; lithium chloride / N,N-dimethyl-formamide / 14 h / 100 °C
4.1: dichloromethane / 12 h / 20 °C |
|
- 6
-
[ 1017779-49-5 ]
-
[ 925-90-6 ]
-
1-(4-(difluoromethoxy)-2-fluorophenyl)cyclopropan-1-amine
[ No CAS ]
| Yield | Reaction Conditions | Operation in experiment |
| 39.4% |
Stage #1: 4-(difluoromethoxy)-2-fluorobenzonitrile; ethylmagnesium bromide With titanium(IV) isopropylate In tetrahydrofuran; diethyl ether at -78 - 20℃; for 2h;
Stage #2: With boron trifluoride diethyl etherate In tetrahydrofuran; diethyl ether at 0 - 20℃; for 14h; |
33 1-(4-(difluoromethoxy)-2-fluorophenyl)cyclopropan-1-amine (FA )
To a stirred solution of 4-(difluoromethoxy)-2-fluorobenzonitrile (EZ, 1 g, 5.34 mmol) in diethyl ether (30 mL), ethyl magnesium bromide (3M in THF, 3.91 mL, 11.75 mmol) and titanium isopropoxide (1.67 g, 5.87 mmol) were added at -78 C and the reaction mixture was stirred at RT for 2 h. BF3.OEt2 (1.51 g, 10.68 mmol) was added at 0C and stirred at RT for 14 h. The progress of the reaction was monitored by TLC. After completion of the reaction, the reaction mixture was quenched with NH4C1 solution, basified with 10% NaOH solution, and extracted with 10% MeOH/DCM. The combined organic layer was washed with brine, dried over anhydrous Na2S04 and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography using 5% MeOH/DCM to afford compound FA (0.458 g, 39.4%) as a brown liquid. LC-MS: m/z 218.00 [M+H]+. |
Chemistry
Pharmaceutical Intermediates
Inhibitors/Agonists
Material Science
For Research Only
110K+ Compounds
Competitive Price
1-2 Day Shipping
