61203-48-3

61203-48-3 - Names and Identifiers

Name	4,5-Dimethoxy-2-iodobenzoic acid
Synonyms	145849 2-iodo-4,5-dimethoxybenzoic acid 4,5-Dimethoxy-2-iodobenzoic acid 4,5-DIMETHOXY-2-IODOBENZOIC ACID Benzoic acid, 2-iodo-4,5-dimethoxy-
CAS	61203-48-3
InChI	InChI=1/C9H9IO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12)

61203-48-3 - Physico-chemical Properties

Molecular Formula	C9H9IO4
Molar Mass	308.07
Density	1.790±0.06 g/cm3(Predicted)
Melting Point	206-208°C
Boling Point	367.9±42.0 °C(Predicted)
Flash Point	176.3°C
Vapor Presure	4.62E-06mmHg at 25°C
pKa	3.01±0.10(Predicted)
Storage Condition	Keep in dark place,Sealed in dry,Room Temperature
Refractive Index	1.607

61203-48-3 - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
HS Code	29163990
Hazard Class	IRRITANT

61203-48-3 - Reference Information

Use

4, 5-dimethoxy-2-iodobenzoic acid is an organic intermediate that can be prepared from 3, 4-dimethoxybenzaldehyde by iodine, and then oxidized to obtain 4, 5-dimethoxy-2-iodobenzoic acid.

Preparation

Add iodine (3.65g,14.4mmol) and silver sulfate (4.49g,14.4mmol) to EtOH(100mL) solution of 3, 4-dimethoxybenzaldehyde (2.00g,12.0mmol) under nitrogen, and stir the mixture at room temperature for 3 hours. Remove the solvent, add water, and extract the mixture with DCM. The organic extract was washed with brine, dried with sodium sulfate, and the solvent was removed under reduced pressure. The residue was purified by rapid chromatography using petroleum ether/ethyl acetate 2 ∶ 1(v∶v) as eluent to give 2-iodo-4, 5-dimethoxybenzaldehyde (2.81g,80%). LC-MS(ES-API); 8.52 minutes at room temperature; The calculated value of m/zC9H9IO3[M H] is 293.0 and the measured value is 293.0. KMnO4(0.76g,4.79mmol) water (15mL) solution was added dropwise to a stirred solution of 2-iodo-4, 5-dimethoxybenzaldehyde (1.0g,3.42mmol) in CH3CN(25mL) at 0°C. The resulting mixture was stirred overnight at room temperature. After the reaction is complete, adjust the pH to <7 with 1NHCl. The mixture was extracted with DCM, the organic layers were combined, washed with brine, dried with sodium sulfate, and evaporated to obtain 4, 5-dimethoxy-2-iodobenzoic acid (0.89g,85%).

Last Update：2024-04-10 22:29:15