54916-66-4

54916-66-4 - Names and Identifiers

Name	5-Bromo-2-methoxynicotinic acid
Synonyms	Zinc04352712 5-Bromo-2-methoxynicotinic acid 5-BROMO-2-METHOXY-NICOTINIC ACID 5-bromo-2-methoxypyridine-3-carboxylic acid 5-BROMO-2-METHOXY-3-PYRIDINECARBOXYLIC ACID 5-Bromo-2-methoxypyridine-3-carboxylic acid 3-Pyridinecarboxylic acid, 5-bromo-2-methoxy- 5-Bromo-2-methoxypyridine-3-carboxylic acid, 5-Bromo-3-carboxy-2-methoxypyridine
CAS	54916-66-4
InChI	InChI=1/C7H6BrNO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3H,1H3,(H,10,11)
InChIKey	SJLXURQPRRMPIV-UHFFFAOYSA-N

54916-66-4 - Physico-chemical Properties

Molecular Formula	C7H6BrNO3
Molar Mass	232.03
Density	1.713
Melting Point	156-158
Boling Point	324.8±42.0 °C(Predicted)
Flash Point	150.2°C
Vapor Presure	9.81E-05mmHg at 25°C
Appearance	Solid
pKa	2.97±0.10(Predicted)
Storage Condition	Inert atmosphere,Room Temperature
Refractive Index	1.589
MDL	MFCD06656771

54916-66-4 - Risk and Safety

Hazard Symbols	Xi - Irritant
Safety Description	24/25 - Avoid contact with skin and eyes.
WGK Germany	nwg
HS Code	29333990
Hazard Note	Irritant/Keep Cold
Hazard Class	IRRITANT

54916-66-4 - Reference Information

Uses

5-bromo-2-methoxynicotinic acid is an organic intermediate.

Preparation

5-bromo-2-methoxynicotinic acid can be obtained after bromination of 2-methoxynicotinic acid. The brominating reagent can be selected from NBS and elemental bromine. Methods 100kg of water and 20kg of 2-methoxynicotinic acid were 1. added to a 200-liter kettle, and then 32kg of NBS was added. At a temperature of 0-35 degrees, samples were taken for HPLC detection after 16 hours of reaction. When the HPLC detection raw materials were less than 2%, the reaction could be ended. After the reaction is over, the product 5-bromo-2-methoxynicotinic acid is obtained by centrifugal drying and solid drying, weighing 25.78kg, with 85% yield and 97.5% purity. Methods Br2(20 mL,375.45 mmol) was 2. added to 2-methoxynicotinic acid (20g,130.60 mmol) water (1500 mL) solution at room temperature. Stir the mixture overnight at room temperature. The reaction mixture was filtered, washed with water and dried to provide 5-bromo-2-methoxynicotinic acid (25g, yield: 82%). 1H-NMR(DMSO, 400 MHz)δ 13.33(br s, 1H), 8.47(d, J = 2.4Hz, 1H), 8.21(d, J = 2.4Hz, 1H), 3.90(s, 3H). MS(M + H)+: 232/234.

Last Update：2024-04-09 19:05:12