Conditions | Yield |
---|---|
With sulfuric acid at 65 - 80℃; for 0.666667h; | 98.6% |
With sulfuric acid at 65℃; for 3h; | 58% |
With sulfuric acid In water at 65 - 80℃; for 0.75h; | 57% |
Conditions | Yield |
---|---|
With sulfuric acid at 80℃; for 2h; | 90% |
With sulfuric acid at 70℃; for 0.75h; | 55% |
With sulfuric acid |
7-fluoro-1H-indole-2,3-dione
Conditions | Yield |
---|---|
With hydrogenchloride In tetrahydrofuran Heating; | 87% |
7-fluoro-1H-indole-2,3-dione
Conditions | Yield |
---|---|
With sulfuric acid at 55 - 80℃; | 65% |
With sulfuric acid at 55 - 80℃; | 65% |
In sulfuric acid | 46% |
With sulfuric acid In 5,5-dimethyl-1,3-cyclohexadiene | |
With sulfuric acid In 5,5-dimethyl-1,3-cyclohexadiene |
7-Fluoro-3-(methylsulfanyl)-1,3-dihydro-2H-indol-2-one
7-fluoro-1H-indole-2,3-dione
Conditions | Yield |
---|---|
Multistep reaction; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 71 percent / hydroxylamine hydrochloride; sodium sulfate; aq. HCl / H2O / 55 °C 2: 65 percent / conc. sulfuric acid / 55 - 80 °C View Scheme | |
Multi-step reaction with 2 steps 1: 71 percent / NH2OH*HCl; Na2SO4; aq. HCl / 55 °C 2: 65 percent / H2SO4 / 55 - 80 °C View Scheme | |
Multi-step reaction with 2 steps 1: Na2SO4; NH2OH*HCl; aq. HCl / 2 h / 80 - 90 °C 2: H2SO4 / 0.25 h / 80 °C View Scheme |
tert-butyl 2-fluorophenylcarbamate
7-fluoro-1H-indole-2,3-dione
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 81 percent / t-BuLi / tetrahydrofuran / 2 h / -40 °C 2: 87 percent / 3N HCl / tetrahydrofuran / Heating View Scheme |
N-(2-fluorophenyl)-2-(hydroxyimino)acetamide
A
7-fluoro-1H-indole-2,3-dione
B
7-fluoro-1H-indole-2,3-dione 3-oxime
Conditions | Yield |
---|---|
Stage #1: N-(2-fluorophenyl)-2-(hydroxyimino)acetamide With sulfuric acid at 74 - 76℃; for 1.5h; Stage #2: With sodium sulfate; acetone In water; toluene at 20℃; for 15h; Product distribution / selectivity; | |
With sulfuric acid at 73 - 76℃; for 1.5h; Product distribution / selectivity; | |
Stage #1: N-(2-fluorophenyl)-2-(hydroxyimino)acetamide With sulfuric acid Stage #2: With Glyoxal; sodium sulfate In Isopropyl acetate; water at 20℃; for 1 - 37h; Product distribution / selectivity; |
7-fluoro-1H-indole-2,3-dione
Conditions | Yield |
---|---|
Stage #1: 7-fluoro-1H-indole-2,3-dione With fuming sulphuric acid at -20 - 70℃; for 1.91667h; Inert atmosphere; Stage #2: With sodium hydroxide In water pH=7.5; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
With 60 wtpercent phosphotungstic acid supported on MCM-41 In tetrahydrofuran at 20℃; for 2.5h; Friedel-Crafts Acylation; | 99% |
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane In water at 20℃; for 2h; Henry Nitro Aldol Condensation; | 98% |
7-fluoro-1H-indole-2,3-dione
5-chloro-1-indanone
3-amino-1-phenyl-2-pyrazolin-5-one
Conditions | Yield |
---|---|
With acetic acid In water at 90℃; for 5h; Green chemistry; | 98% |
7-fluoro-1H-indole-2,3-dione
Conditions | Yield |
---|---|
With methanol; triethylamine at 20℃; for 24h; | 98% |
Conditions | Yield |
---|---|
In ethanol at 80℃; for 8.5h; Solvent; | 97% |
7-fluoro-1H-indole-2,3-dione
3-amino-1-phenyl-2-pyrazolin-5-one
inden-1-one
Conditions | Yield |
---|---|
With acetic acid In water at 90℃; for 5h; Green chemistry; | 97% |
7-fluoro-1H-indole-2,3-dione
3-amino-1-phenyl-2-pyrazolin-5-one
6-methoxy-3,4-dihydro-1(2H)-naphthalenone
Conditions | Yield |
---|---|
With acetic acid In water at 90℃; for 5h; Green chemistry; | 97% |
4,4,5,5-tetramethyl-2-(propa-1,2-dien-1-yl)-1,3,2-dioxaborolane
7-fluoro-1H-indole-2,3-dione
Conditions | Yield |
---|---|
With copper(II) bis(trifluoromethanesulfonate) In water at 25℃; for 0.416667h; regioselective reaction; | 97% |
7-fluoro-1H-indole-2,3-dione
Conditions | Yield |
---|---|
With methanesulfonic acid; trichloroisocyanuric acid; sulfuric acid at 0 - 20℃; for 4h; | 97% |
Conditions | Yield |
---|---|
With dihydrogen peroxide; sodium hydroxide In water at 30 - 40℃; for 2.25h; | 96% |
With hydrogenchloride; dihydrogen peroxide In sodium hydroxide | 59% |
With sodium hydroxide; dihydrogen peroxide |
7-fluoro-1H-indole-2,3-dione
mercaptoacetic acid
3-chloro-aniline
C16H10ClFN2O2S
Conditions | Yield |
---|---|
With 1-methylimidazolium tetrafluoroborate at 140℃; for 0.0333333h; Microwave irradiation; Ionic liquid; | 96% |
7-fluoro-1H-indole-2,3-dione
3-chloro-aniline
3-mercaptopropionic acid
C17H12ClFN2O2S
Conditions | Yield |
---|---|
With 1-methylimidazolium tetrafluoroborate at 140℃; for 0.0666667h; Microwave irradiation; Ionic liquid; | 96% |
7-fluoro-1H-indole-2,3-dione
aminomalonic acid diethyl ester
(1-methyl-2-oxo-indolin-3-yliden)-acetonitrile
Conditions | Yield |
---|---|
With C42H28O9P2 In chloroform at 50℃; for 36h; Molecular sieve; stereoselective reaction; | 96% |
7-fluoro-1H-indole-2,3-dione
6-Amino-1,3-dimethylbarbituric acid
3(5)-aminopyrazole
Conditions | Yield |
---|---|
With acetic acid In water at 90℃; for 7h; Green chemistry; | 96% |
Conditions | Yield |
---|---|
In 1,4-dioxane Reflux; diastereoselective reaction; | 96% |
7-fluoro-1H-indole-2,3-dione
triphenyl(t-butoxycarbonylimino)phosphorane
tert-butyl 7-fluoro-1-methyl-2-oxoindolin-3-ylidenecarbamate
Conditions | Yield |
---|---|
In 1,4-dioxane Aza-Wittig reaction; Inert atmosphere; Reflux; | 95% |
7-fluoro-1H-indole-2,3-dione
malononitrile
2-(7-fluoro-2-oxoindolin-3-ylidene)malononitrile
Conditions | Yield |
---|---|
With piperdinium acetate In water at 100℃; Knoevenagel Condensation; | 95% |
With piperidine In ethanol at 20℃; for 3h; |
Conditions | Yield |
---|---|
With sodium tetrachloroaurate(III) dihydrate In ethanol at 40℃; for 0.25h; Microwave irradiation; | 95% |
7-fluoro-1H-indole-2,3-dione
6-Amino-1,3-dimethylbarbituric acid
3-amino-5-methylpyrazole
Conditions | Yield |
---|---|
With acetic acid In water at 90℃; for 7h; Green chemistry; | 95% |
Conditions | Yield |
---|---|
With sulfuric acid at 65 - 80℃; for 0.666667h; | 98.6% |
With sulfuric acid at 65℃; for 3h; | 58% |
With sulfuric acid In water at 65 - 80℃; for 0.75h; | 57% |
Conditions | Yield |
---|---|
With sulfuric acid at 80℃; for 2h; | 90% |
With sulfuric acid at 70℃; for 0.75h; | 55% |
With sulfuric acid |
7-fluoro-1H-indole-2,3-dione
Conditions | Yield |
---|---|
With hydrogenchloride In tetrahydrofuran Heating; | 87% |
7-fluoro-1H-indole-2,3-dione
Conditions | Yield |
---|---|
With sulfuric acid at 55 - 80℃; | 65% |
With sulfuric acid at 55 - 80℃; | 65% |
In sulfuric acid | 46% |
With sulfuric acid In 5,5-dimethyl-1,3-cyclohexadiene | |
With sulfuric acid In 5,5-dimethyl-1,3-cyclohexadiene |
7-Fluoro-3-(methylsulfanyl)-1,3-dihydro-2H-indol-2-one
7-fluoro-1H-indole-2,3-dione
Conditions | Yield |
---|---|
Multistep reaction; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 71 percent / hydroxylamine hydrochloride; sodium sulfate; aq. HCl / H2O / 55 °C 2: 65 percent / conc. sulfuric acid / 55 - 80 °C View Scheme | |
Multi-step reaction with 2 steps 1: 71 percent / NH2OH*HCl; Na2SO4; aq. HCl / 55 °C 2: 65 percent / H2SO4 / 55 - 80 °C View Scheme | |
Multi-step reaction with 2 steps 1: Na2SO4; NH2OH*HCl; aq. HCl / 2 h / 80 - 90 °C 2: H2SO4 / 0.25 h / 80 °C View Scheme |
tert-butyl 2-fluorophenylcarbamate
7-fluoro-1H-indole-2,3-dione
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 81 percent / t-BuLi / tetrahydrofuran / 2 h / -40 °C 2: 87 percent / 3N HCl / tetrahydrofuran / Heating View Scheme |
N-(2-fluorophenyl)-2-(hydroxyimino)acetamide
A
7-fluoro-1H-indole-2,3-dione
B
7-fluoro-1H-indole-2,3-dione 3-oxime
Conditions | Yield |
---|---|
Stage #1: N-(2-fluorophenyl)-2-(hydroxyimino)acetamide With sulfuric acid at 74 - 76℃; for 1.5h; Stage #2: With sodium sulfate; acetone In water; toluene at 20℃; for 15h; Product distribution / selectivity; | |
With sulfuric acid at 73 - 76℃; for 1.5h; Product distribution / selectivity; | |
Stage #1: N-(2-fluorophenyl)-2-(hydroxyimino)acetamide With sulfuric acid Stage #2: With Glyoxal; sodium sulfate In Isopropyl acetate; water at 20℃; for 1 - 37h; Product distribution / selectivity; |
7-fluoro-1H-indole-2,3-dione
Conditions | Yield |
---|---|
Stage #1: 7-fluoro-1H-indole-2,3-dione With fuming sulphuric acid at -20 - 70℃; for 1.91667h; Inert atmosphere; Stage #2: With sodium hydroxide In water pH=7.5; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
With 60 wtpercent phosphotungstic acid supported on MCM-41 In tetrahydrofuran at 20℃; for 2.5h; Friedel-Crafts Acylation; | 99% |
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane In water at 20℃; for 2h; Henry Nitro Aldol Condensation; | 98% |
7-fluoro-1H-indole-2,3-dione
5-chloro-1-indanone
3-amino-1-phenyl-2-pyrazolin-5-one
Conditions | Yield |
---|---|
With acetic acid In water at 90℃; for 5h; Green chemistry; | 98% |
7-fluoro-1H-indole-2,3-dione
Conditions | Yield |
---|---|
With methanol; triethylamine at 20℃; for 24h; | 98% |
Conditions | Yield |
---|---|
In ethanol at 80℃; for 8.5h; Solvent; | 97% |
7-fluoro-1H-indole-2,3-dione
3-amino-1-phenyl-2-pyrazolin-5-one
inden-1-one
Conditions | Yield |
---|---|
With acetic acid In water at 90℃; for 5h; Green chemistry; | 97% |
7-fluoro-1H-indole-2,3-dione
3-amino-1-phenyl-2-pyrazolin-5-one
6-methoxy-3,4-dihydro-1(2H)-naphthalenone
Conditions | Yield |
---|---|
With acetic acid In water at 90℃; for 5h; Green chemistry; | 97% |
4,4,5,5-tetramethyl-2-(propa-1,2-dien-1-yl)-1,3,2-dioxaborolane
7-fluoro-1H-indole-2,3-dione
Conditions | Yield |
---|---|
With copper(II) bis(trifluoromethanesulfonate) In water at 25℃; for 0.416667h; regioselective reaction; | 97% |
7-fluoro-1H-indole-2,3-dione
Conditions | Yield |
---|---|
With methanesulfonic acid; trichloroisocyanuric acid; sulfuric acid at 0 - 20℃; for 4h; | 97% |
Conditions | Yield |
---|---|
With dihydrogen peroxide; sodium hydroxide In water at 30 - 40℃; for 2.25h; | 96% |
With hydrogenchloride; dihydrogen peroxide In sodium hydroxide | 59% |
With sodium hydroxide; dihydrogen peroxide |
7-fluoro-1H-indole-2,3-dione
mercaptoacetic acid
3-chloro-aniline
C16H10ClFN2O2S
Conditions | Yield |
---|---|
With 1-methylimidazolium tetrafluoroborate at 140℃; for 0.0333333h; Microwave irradiation; Ionic liquid; | 96% |
7-fluoro-1H-indole-2,3-dione
3-chloro-aniline
3-mercaptopropionic acid
C17H12ClFN2O2S
Conditions | Yield |
---|---|
With 1-methylimidazolium tetrafluoroborate at 140℃; for 0.0666667h; Microwave irradiation; Ionic liquid; | 96% |
7-fluoro-1H-indole-2,3-dione
aminomalonic acid diethyl ester
(1-methyl-2-oxo-indolin-3-yliden)-acetonitrile
Conditions | Yield |
---|---|
With C42H28O9P2 In chloroform at 50℃; for 36h; Molecular sieve; stereoselective reaction; | 96% |
7-fluoro-1H-indole-2,3-dione
6-Amino-1,3-dimethylbarbituric acid
3(5)-aminopyrazole
Conditions | Yield |
---|---|
With acetic acid In water at 90℃; for 7h; Green chemistry; | 96% |
Conditions | Yield |
---|---|
In 1,4-dioxane Reflux; diastereoselective reaction; | 96% |
7-fluoro-1H-indole-2,3-dione
triphenyl(t-butoxycarbonylimino)phosphorane
tert-butyl 7-fluoro-1-methyl-2-oxoindolin-3-ylidenecarbamate
Conditions | Yield |
---|---|
In 1,4-dioxane Aza-Wittig reaction; Inert atmosphere; Reflux; | 95% |
7-fluoro-1H-indole-2,3-dione
malononitrile
2-(7-fluoro-2-oxoindolin-3-ylidene)malononitrile
Conditions | Yield |
---|---|
With piperdinium acetate In water at 100℃; Knoevenagel Condensation; | 95% |
With piperidine In ethanol at 20℃; for 3h; |
Conditions | Yield |
---|---|
With sodium tetrachloroaurate(III) dihydrate In ethanol at 40℃; for 0.25h; Microwave irradiation; | 95% |
7-fluoro-1H-indole-2,3-dione
6-Amino-1,3-dimethylbarbituric acid
3-amino-5-methylpyrazole
Conditions | Yield |
---|---|
With acetic acid In water at 90℃; for 7h; Green chemistry; | 95% |
7-fluoro-1H-indole-2,3-dione
1-Phenyl-3-methyl-5-aminopyrazole
6-Amino-1,3-dimethylbarbituric acid
Conditions | Yield |
---|---|
With acetic acid In water at 90℃; for 7h; Green chemistry; | 95% |
Conditions | Yield |
---|---|
With cesium fluoride In ethanol at 20℃; for 0.0833333h; Knoevenagel Condensation; | 95% |
Conditions | Yield |
---|---|
With water; sodium hydroxide at 110℃; under 4500.45 Torr; for 0.166667h; Microwave irradiation; | 94% |
With potassium hydroxide In water at 50℃; | |
With sodium hydroxide In water at 110℃; for 0.166667h; Pfitzinger Quinoline Synthesis; Microwave irradiation; | |
With sodium hydroxide In water at 110℃; for 0.166667h; Microwave irradiation; |
Conditions | Yield |
---|---|
With 6A-{{2-{{2-[(2-aminoethyl)amino]ethyl}amino}ethyl}amino}-6A-deoxy-β-cyclodextrin In water at 20℃; for 7h; chemoselective reaction; | 94% |
The 7-Fluoroisatin is an organic compound with the formula C8H4FNO2. The IUPAC name of this chemical is 7-fluoro-1H-indole-2,3-dione. With the CAS registry number 317-20-4, it is also named as 1H-Indole-2,3-dione, 7-fluoro-. The product's categories are Indane/Indanone and Derivatives; Indoles; Simple Indoles.
Physical properties about 7-Fluoroisatin are: (1)ACD/LogP: 0.52; (2)ACD/LogD (pH 5.5): 0.52; (3)ACD/LogD (pH 7.4): 0.49; (4)ACD/BCF (pH 5.5): 1.47; (5)ACD/BCF (pH 7.4): 1.35; (6)ACD/KOC (pH 5.5): 45.86; (7)ACD/KOC (pH 7.4): 42.14; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 37.38 Å2; (11)Index of Refraction: 1.584; (12)Molar Refractivity: 37.41 cm3; (13)Molar Volume: 111.7 cm3; (14)Polarizability: 14.83×10-24cm3; (15)Surface Tension: 50.8 dyne/cm; (16)Density: 1.477 g/cm3.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. Besides, this chemical may cause sensitisation by skin contact. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc2c1NC(=O)C2=O
(2)InChI: InChI=1/C8H4FNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)
(3)InChIKey: HGBGVEOXPHGSOS-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H4FNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)
(5)Std. InChIKey: HGBGVEOXPHGSOS-UHFFFAOYSA-N
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