(2,3-DIOXO-2,3-DIHYDRO-INDOL-1-YL)-ACETIC ACID

The 1H-Indole-1-aceticacid, 2,3-dihydro-2,3-dioxo-, with the CAS registry number 60705-96-6, is also known as 2,3-Dihydro-2,3-dioxo-1H-indole-1-acetic acid. This chemical's molecular formula is C₁₀H₇NO₄ and molecular weight is 205.17. Its IUPAC name is called 2-(2,3-dioxoindol-1-yl)acetic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 1H-Indole-1-aceticacid, 2,3-dihydro-2,3-dioxo-: (1)ACD/LogP: 0.22; (2)ACD/LogD (pH 5.5): -2.03; (3)ACD/LogD (pH 7.4): -3.39; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.639; (12)Molar Refractivity: 48.53 cm³; (13)Molar Volume: 134.7 cm³; (14)Surface Tension: 71.1 dyne/cm; (15)Density: 1.522 g/cm³; (16)Flash Point: 223.2 °C; (17)Enthalpy of Vaporization: 74.13 kJ/mol; (18)Boiling Point: 445.4 °C at 760 mmHg; (19)Vapour Pressure: 1.02E-08 mmHg at 25°C.

Preparation of 1H-Indole-1-aceticacid, 2,3-dihydro-2,3-dioxo-: this chemical can be prepared by indole-2,3-dione and chloroacetic acid. This reaction will need reagents aq. NaOH and aq. Na₂CO₃. The reaction time is 4 hours. The yield is about 30%.

Uses of 1H-Indole-1-aceticacid, 2,3-dihydro-2,3-dioxo-: it can be used to produce [3-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-indol-1-yl]-acetic acid by heating. This reaction will need reagent AcONa and solvent acetic acid with reaction time of 5 hours. The yield is about 62%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2CC(=O)O
(2)InChI: InChI=1S/C10H7NO4/c12-8(13)5-11-7-4-2-1-3-6(7)9(14)10(11)15/h1-4H,5H2,(H,12,13)
(3)InChIKey: KYAMYNWIAQNFEG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	631mg/kg (631mg/kg)	LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Pharmaceutical Chemistry Journal Vol. 15, Pg. 858, 1981.