53087-78-8

Basic information

• Product Name: 2-BROMONICOTINIC ACID ETHYL ESTER
• Synonyms: Ethyl 2-bromonicotinate;ethyl 2-broMopyridine-3-carboxylate
• CAS NO: 53087-78-8
• Molecular Formula: C₈H₈BrNO₂
• Molecular Weight: 230.07
• Mol File: 53087-78-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 271℃
• Flash Point: 118℃
• Appearance: /
• Density: 1.501
• Vapor Pressure: 0.0065mmHg at 25°C
• Refractive Index: 1.544
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: -1.14±0.10(Predicted)
• CAS DataBase Reference: 2-BROMONICOTINIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMONICOTINIC ACID ETHYL ESTER(53087-78-8)
• EPA Substance Registry System: 2-BROMONICOTINIC ACID ETHYL ESTER(53087-78-8)

Safety Data

• Hazardous Substances Data: 53087-78-8(Hazardous Substances Data)

Usage

Synthesis Reference(s)

The Journal of Organic Chemistry, 41, p. 2066, 1976 DOI: 10.1021/jo00873a051

InChI:InChI=1/C8H8BrNO2/c1-2-12-8(11)6-4-3-5-10-7(6)9/h3-5H,2H2,1H3

Upstream product

• 105-56-6 ethyl 2-cyanoacetate 
• 927-63-9 3-dimethylaminoacrolein 

Downstream Products

• 115891-18-4 ethyl 2-(phenylamino)pyridine-3-carboxylate 
• 144501-28-0 2-phenylpyridine-3-carboxylic acid ethyl ester 

Relevant articles and documents

A microwave synthesis 2 - halogenated nicotinate and intermediates thereof

The invention discloses a method for synthesizing 2-halogenated nicotinic acid ester and intermediates thereof through microwave method. The method comprises the following steps: adding substitute amino acrolein, a catalyst and cyan-acetic ester into a reactor, carrying out reaction under microwave radiation, and tracking the reaction till substitute amino acrolein disappears to prepare and obtain reaction liquid of the intermediates of 2-halogenated nicotinic acid ester; adding hydrogen halide into the reaction liquid, continuously carrying out reaction, and tracking and monitoring the reaction till the reaction is complete; adding alkali liquor into the reaction liquid to adjust the pH value to 5-6; carrying out standing delamination to obtain an aqueous layer and an organic layer; extracting the aqueous layer with an organic solvent, combining the extracted aqueous layer with the organic layer, and carrying out refinement to prepare and obtain 2-halogenated nicotinic acid ester. The synthesis method of 2-halogenated nicotinic acid ester related to the invention has the advantages of beingenvironment-friendly, short in reaction time, simple to operate, high in product yield and good in quality.

Method using hydrothermal method to synthesize 2-halogeneated nicotinate and 2-halogeneated nicotinic acid

The invention discloses a method using a hydrothermal method to synthesize 2-halogeneated nicotinate and 2-halogeneated nicotinic acid and relates to the field of chemical synthesizing. The method uses substituted amino acrolein, catalyst, catalyst assistant, water and cyanoacetate as raw materials to synthesize the 2-halogeneated nicotinate and the 2-halogeneated nicotinic acid through the hydrothermal method. Compared with the prior art, the method is environmentally friendly, easy in separation, high in product yield, good in product quality, capable of achieving large-scale industrial production favorably, and the like.