CAS No.39603-24-2,5,7-Dimethylisatin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39603-24-2
Name:	5,7-Dimethylisatin

Formula:	C₁₀H₉NO₂
Molecular Weight:	175.187
Synonyms:	1H-Indole-2,3-dione, 5,7-dimethyl- (9CI);5,7-Dimethyl-1H-indole-2,3-dione;5,7-Dimethylindoline-2,3-dione;Indole-2,3-dione, 5,7-dimethyl-;BRN 0143679;
EINECS:	-0
Density:	1.25 g/cm³
Melting Point:	245 °C
Boiling Point:	306.47°C (rough estimate)
Solubility:	Insoluble in water
Appearance:	Red to red-brown powder
Hazard Symbols:	Xi
Safety:	24/25-22
PSA:	46.17000
LogP:	1.57620

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Specification

The 5,7-Dimethylisatin with CAS registry number of 39603-24-2 is also known as 1H-Indole-2,3-dione,5,7-dimethyl-. The IUPAC name is 5,7-Dimethyl-1H-indole-2,3-dione. It belongs to product categories of Miscellaneous. In addition, the formula is C₁₀H₉NO₂ and the molecular weight is 175.18. This chemical is a red to red-brown powder and should be sealed in cool, dry place.

Physical properties about 5,7-Dimethylisatin are: (1)ACD/LogP: 1.48; (2)ACD/LogD (pH 5.5): 1.48; (3)ACD/LogD (pH 7.4): 1.48; (4)ACD/BCF (pH 5.5): 7.84; (5)ACD/BCF (pH 7.4): 7.83; (6)ACD/KOC (pH 5.5): 151.93; (7)ACD/KOC (pH 7.4): 151.79; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.586; (11)Molar Refractivity: 47.07 cm³; (12)Molar Volume: 140.1 cm³; (13)Surface Tension: 47.3 dyne/cm; (14)Density: 1.25 g/cm³.

Preparation of 5,7-Dimethylisatin: it is prepared by reaction of hydroxyimino-acetic acid-(2,4-dimethyl-anilide). The reaction needs reagent H₂SO₄ at the temperature of 80 °C for 20 minutes. The yield is about 80%.

5,7-Dimethylisatin is prepared by reaction of hydroxyimino-acetic acid-(2,4-dimethyl-anilide).

Uses of 5,7-Dimethylisatin: it is used to produce cyano-(5,7-dimethyl-2-oxo-1,2-dihydro-indol-3-ylidene)-acetic acid ethyl ester by knoevenagel condensation with cyanoacetic acid ethyl ester. The reaction occurs with reagent neutral alumina and other condition of microwave irradiation for 8 minutes. The yield is about 77%.

5,7-Dimethylisatin is used to produce cyano-(5,7-dimethyl-2-oxo-1,2-dihydro-indol-3-ylidene)-acetic acid ethyl ester by knoevenagel condensation with cyanoacetic acid ethyl ester.

When you are using this chemical, please be cautious about it. As a chemical, it may cause inflammation to the skin or other mucous membranes. During using it, do not breathe dust and also avoid contact with skin or eyes

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1=CC(=C2C(=C1)C(=O)C(=O)N2)C
2. InChI: InChI=1S/C10H9NO2/c1-5-3-6(2)8-7(4-5)9(12)10(13)11-8/h3-4H,1-2H3,(H,11,12,13)
3. InChIKey: HFZSCCJTJGWTDZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	421mg/kg (421mg/kg)	LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Pharmaceutical Chemistry Journal Vol. 15, Pg. 858, 1981.