Methyl 5-bromonicotinate

Base Information

• Chemical Name: Methyl 5-bromonicotinate
• CAS No.: 29681-44-5
• Molecular Formula: C7H6BrNO2
• Molecular Weight: 216.034
• Hs Code.: 29333990
• European Community (EC) Number: 627-974-5
• DSSTox Substance ID: DTXSID70351394
• Nikkaji Number: J258.418B
• Wikidata: Q72488754
• Mol file: 29681-44-5.mol

Synonyms:Methyl 5-bromonicotinate;29681-44-5;Methyl 5-bromopyridine-3-carboxylate;5-Bromonicotinic acid methyl ester;5-bromo nicotinic acid methyl ester;5-Bromo-3-pyridinecarboxylic Acid Methyl Ester;3-PYRIDINECARBOXYLIC ACID, 5-BROMO-, METHYL ESTER;MFCD00173668;METHYL 3-BROMO-5-PYRIDINECARBOXYLATE;Methyl 5-Bromo-3-pyridinecarboxylate;methyl-5-bromonicotinate;Maybridge3_004992;5-Bromopyridine-3-carboxylic acid methyl ester;5-bromo-3-pyridine carboxylic acid methyl ester;SCHEMBL309752;DTXSID70351394;3-Bromo-5-methoxycarbonylpyridine;AAJZXPWBILCHAW-UHFFFAOYSA-N;HMS1445C20;5-bromo-nicotinic acid methyl ester;STR08069;methyl-5-bromopyridine-3-carboxylate;RB1030;AKOS000265039;methyl-5-bromo-pyridine-3-carboxylate;AC-7244;CCG-251767;CS-W007467;MS-3710;PB10112;IDI1_016379;SY005317;Methyl 5-bromopyridine-3-carboxylate, 97%;AM20051048;FT-0628848;M2008;3-bromo-5-pyridinecarboxylic acid methyl ester;EN300-133021;Q-101238;Z18390143;F1916-7021

Chemical Property of Methyl 5-bromonicotinate

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.0354mmHg at 25°C
• Melting Point: 96-100 °C
• Refractive Index: 1.553
• Boiling Point: 241.7 °C at 760 mmHg
• PKA: 0.84±0.20(Predicted)
• Flash Point: 100 °C
• PSA: 39.19000
• Density: 1.579 g/cm³
• LogP: 1.63070
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.95819
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Methyl 5-bromonicotinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41-36/37/38
• Safety Statements: 26-39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=CN=C1)Br
• Uses: A substrate used in a microwave-assisted, palladium-catalyzed arylation of acetone as its TMS enol ether. Substrate used in a microwave-assisted, palladium-catalyzed arylation of acetone as its TMS enol ether.

Technology Process of Methyl 5-bromonicotinate

There total 15 articles about Methyl 5-bromonicotinate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.1%

methanol (67-56-1) + 5-bromo-3-pyridinecarboxylic acid (20826-04-4) → 5-bromo-3-pyridine carboxylic acid methyl ester (29681-44-5)

Guidance literature:

With thionyl chloride; at 0 ℃; for 8h; Reflux;

Reference yield: 97.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 5-bromo-3-pyridinecarboxylic acid (20826-04-4) → 5-bromo-3-pyridine carboxylic acid methyl ester (29681-44-5)

Guidance literature:

In tetrahydrofuran; diethyl ether; for 2h; Ambient temperature;

DOI:10.1080/15257779408013225

Reference yield: 94.0%

5-bromo-3-pyridinecarboxylic acid (20826-04-4) → 5-bromo-3-pyridine carboxylic acid methyl ester (29681-44-5)

Guidance literature:

In methanol;

upstream raw materials:

methanol

5-bromonicotinoyl chloride

diazomethane

5-bromo-3-pyridinecarboxylic acid

Downstream raw materials:

5-bromonicotinic acid hydrazide

Methyl 5-(2-Furyl)nicotinate

Methyl 5-(3-Furyl)nicotinate

3-(3-nitrophenyl)-5-pyridinecarboxylic acid methyl ester