5-Methoxyisatin

CAS NO.：39755-95-8
Empirical Formula: C9H7NO3
Molecular Weight: 177.16
MDL number: MFCD00169023
EINECS: 670-372-2
SAFETY DATA SHEET (SDS)
Update Date: 2023-06-20 22:47:09

What is 5-Methoxyisatin?

Chemical properties

Dark red to brown solid

The Uses of 5-Methoxyisatin

5-Methoxyisatin is used for Pharmaceutical intermediates, a raw material used in chemical synthesis.

Preparation

Using water as solvent, 5-methoxyaniline reacted with chloral hydrate and hydroxylamine hydrochloride at 90 ℃ for 3.5h to obtain p-methoxyisonitrosoacetanilide in 95% yield. After hydrolysis, 5-methoxyisatin was obtained in 88% yield by cyclization at 92℃ with concentrated H2SO4 (75%).

Definition

ChEBI: 5-Methoxyisatin is a member of indoles. It has a role as an anticoronaviral agent.

Synthesis Reference(s)

The Journal of Organic Chemistry, 42, p. 1344, 1977 DOI: 10.1021/jo00428a016

Properties of 5-Methoxyisatin

Melting point:	201-203°C
Density	1.346±0.06 g/cm3(Predicted)
storage temp.	Sealed in dry,Room Temperature
form	powder to crystal
pka	9.73±0.20(Predicted)
color	Orange to Amber to Dark red
Water Solubility	Soluble in cold water.
InChI	InChI=1S/C9H7NO3/c1-13-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)
CAS DataBase Reference	39755-95-8(CAS DataBase Reference)

Safety information for 5-Methoxyisatin

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up.