Methyl 5-bromonicotinate
- CAS No.
- 29681-44-5
- Chemical Name:
- Methyl 5-bromonicotinate
- Synonyms
- BUTTPARK 37\04-20;METHYL 5-BROMONICOTINATE;Methyl5-Bromonicotinate>5-bromopyridine-3-carboxyL;Methyl 5-bromonicotinate,98%;Methyl 5-bromonicotinate, 97%,;5-Bromonictinic acid ethyl ester;5-BROMONICOTIC ACID METHYL ESTER;5-BROMO NICOTINIC ACID METHYL ESTER;3-(Methoxycarbonyl)-5-bromopyridine
- CBNumber:
- CB6384490
- Molecular Formula:
- C7H6BrNO2
- Molecular Weight:
- 216.03
- MOL File:
- 29681-44-5.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/4/16 18:29:06
| Melting point | 96-100 °C |
|---|---|
| Boiling point | 241.7±20.0 °C(Predicted) |
| Density | 1.579±0.06 g/cm3(Predicted) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | solid |
| pka | 0.84±0.20(Predicted) |
| color | White |
| Water Solubility | Slightly soluble in water. |
| InChI | InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3 |
| InChIKey | AAJZXPWBILCHAW-UHFFFAOYSA-N |
| SMILES | C1=NC=C(Br)C=C1C(OC)=O |
| CAS DataBase Reference | 29681-44-5(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS05,GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H315-H318-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 37/38-41-36/37/38 | |||||||||
| Safety Statements | 26-39-37/39 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29333990 | |||||||||
| NFPA 704 |
|
Methyl 5-bromonicotinate price More Price(4)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 657425 | Methyl 5-bromopyridine-3-carboxylate 97% | 29681-44-5 | 5G | ₹9601.78 | 2022-06-14 | Buy |
| TCI Chemicals (India) | M2008 | Methyl 5-Bromonicotinate min. 98.0 % | 29681-44-5 | 1G | ₹2700 | 2022-05-26 | Buy |
| TCI Chemicals (India) | M2008 | Methyl 5-Bromonicotinate min. 98.0 % | 29681-44-5 | 5G | ₹7000 | 2022-05-26 | Buy |
| ALFA India | ALF-B20908-14 | Methyl 5-bromonicotinate, 97% | 29681-44-5 | 25g | ₹14407 | 2022-05-26 | Buy |
Methyl 5-bromonicotinate Chemical Properties,Uses,Production
Chemical Properties
white powder
Uses
A substrate used in a microwave-assisted, palladium-catalyzed arylation of acetone as its TMS enol ether.
Application
Methyl 5-bromonicotinate could be used to synthesize Pyridine alkaloids from Rubiaceae with various organometallic reagents by palladium-catalyzed cross-coupling reactions. This compound is a derivative of 5-bromonicotinic acid (BrnicH) which has been widely used in the last decade to obtain MOF materials with unique luminescence, magnetism, catalysis, and adsorption through assembling with lanthanide ions and transition metal ions, such as Cu(II), Co(II), Cd(II), Zn(II), and Pb(II)[1-2].
Synthesis
To an ice-cooled suspension of 5-bromo nicotinic acid (1.6g, 7.9 mmol) in diethyl ether (20ml), a solution of diazomethane in diethyl ether was added dropwise with stirring until the mixture remained yellow. The mixture was stirred for additional 15min (hood!), and the volatile compounds were removed by distillation in vaeuo. Finally, Methyl 5-bromonicotinate was obtained after purification[2].
References
[1] WENJIE LI . Syntheses, crystal structures, and properties of new metal–5-bromonicotinate coordination polymers[J]. Journal of Solid State Chemistry, 2015. DOI:10.1016/j.jssc.2015.01.002.
[2] Bracher, F., Papke, T. Total syntheses and antimicrobial activities of pyridine alkaloids from Rubiaceae. Monatsh Chem 126, 805–809 (1995). https://doi.org/10.1007/BF00807174
Methyl 5-bromonicotinate Preparation Products And Raw materials
Raw materials
Preparation Products
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