CAS No.317-20-4,7-Fluoroisatin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	317-20-4
Name:	7-Fluoroisatin
Article Data:	23

Formula:	C₈H₄FNO₂
Molecular Weight:	165.124
Synonyms:	7-Fluoroindole-1H-2,3-dione;7-fluoroindoline-2,3-dione;
EINECS:	31-720-4
Density:	1.477 g/cm³
Melting Point:	192-196 °C
Solubility:	Sparingly Soluble in water (0.022 g/L)
Hazard Symbols:	Xn, Xi
Risk Codes:	22-43
Safety:	37/39
PSA:	46.17000
LogP:	1.09850

Synthetic route

: 349-24-6
N-(2-fluorophenyl)-2-(hydroxyimino)acetamide

: 317-20-4
7-fluoro-1H-indole-2,3-dione

Conditions

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%

: 349-24-6
N-(2-Fluorophenyl)-2-hydroxyiminoacetamide

: 317-20-4
7-fluoro-1H-indole-2,3-dione

Conditions

Conditions	Yield
With sulfuric acid at 80℃; for 2h;	90%
With sulfuric acid at 70℃; for 0.75h;	55%
With sulfuric acid

: (2-tert-Butoxycarbonylamino-3-fluoro-phenyl)-oxo-acetic acid ethyl ester

: 317-20-4
7-fluoro-1H-indole-2,3-dione

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran Heating;	87%

: N-(2-fluorophenyl)-2-(hydroxyimino)acetamide

: 317-20-4
7-fluoro-1H-indole-2,3-dione

Conditions

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

: 71294-06-9
7-Fluoro-3-(methylsulfanyl)-1,3-dihydro-2H-indol-2-one

: 317-20-4
7-fluoro-1H-indole-2,3-dione

Conditions

Conditions	Yield
Multistep reaction;

: 348-54-9
2-Fluoroaniline

: 317-20-4
7-fluoro-1H-indole-2,3-dione

Conditions

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

: 98968-72-0
tert-butyl 2-fluorophenylcarbamate

: 317-20-4
7-fluoro-1H-indole-2,3-dione

Conditions

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

: 349-24-6
N-(2-fluorophenyl)-2-(hydroxyimino)acetamide

A: 317-20-4
7-fluoro-1H-indole-2,3-dione

B: 143884-84-8
7-fluoro-1H-indole-2,3-dione 3-oxime

Conditions

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;

: 317-20-4
7-fluoro-1H-indole-2,3-dione

: sodium 7-fluoroisatin-5-sulfonate

Conditions

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%

: 120-72-9
indole

: 317-20-4
7-fluoro-1H-indole-2,3-dione

: C24H16FN3O

Conditions

Conditions	Yield
With 60 wtpercent phosphotungstic acid supported on MCM-41 In tetrahydrofuran at 20℃; for 2.5h; Friedel-Crafts Acylation;	99%

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Specification

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