Methyl 5-Bromo-2-methoxynicotinate

Base Information

• Chemical Name: Methyl 5-Bromo-2-methoxynicotinate
• CAS No.: 122433-41-4
• Molecular Formula: C8H8BrNO3
• Molecular Weight: 246.06
• Hs Code.: 2933399090
• European Community (EC) Number: 917-878-4,681-229-9
• DSSTox Substance ID: DTXSID80559521
• Wikidata: Q82442267
• Mol file: 122433-41-4.mol

Synonyms:Methyl 5-Bromo-2-methoxynicotinate;122433-41-4;methyl 5-bromo-2-methoxypyridine-3-carboxylate;Methyl 5-bromo-2-methoxy-3-pyridinecarboxylate;3-Pyridinecarboxylic acid, 5-bromo-2-methoxy-, methyl ester;5-Bromo-2-Methoxy-Nicotinic Acid Methyl Ester;MFCD08064227;SCHEMBL757419;DTXSID80559521;OLQOVEOEHQDKSC-UHFFFAOYSA-N;methyl-5-bromo-2-methoxynicotinate;AMY15393;AKOS005073332;AC-9433;LB-0733;PB25026;BL006350;BP-10227;SY039814;CS-0007676;EN300-128749;Methyl 5-bromo-2-methoxynicotinate, AldrichCPR;A850356;W-205148;Methyl 5-bromo-2-methoxypyridine-3-carboxylate, 97%;METHYL 5-BROMO-2-METHOXYNICOTINATE 98per centMETHYL 5-BROMO-2-METHOXY-3-PYRIDINECARBOXYLATE

Chemical Property of Methyl 5-Bromo-2-methoxynicotinate

Chemical Property:

• Melting Point: 100-102
• Boiling Point: 271.907 °C at 760 mmHg
• Flash Point: 118.246 °C
• PSA: 48.42000
• Density: 1.531 g/cm³
• LogP: 1.63930
• Storage Temp.: Keep Cold
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 244.96876
• Heavy Atom Count: 13
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

Methyl 5-bromo-2-methoxynicotinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=N1)Br)C(=O)OC

Technology Process of Methyl 5-Bromo-2-methoxynicotinate

There total 10 articles about Methyl 5-Bromo-2-methoxynicotinate 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: 66.0%

methanol (67-56-1) + 5-bromo-2-methoxy-nicotinic acid (54916-66-4) → methyl 5-bromo-2-methoxy-3-pyridinecarboxylate (122433-41-4)

Guidance literature:

With sulfuric acid; Heating;

DOI:10.1021/jm00169a005

Reference yield: 56.0%

methanol (67-56-1) + methyl 2-chloro-5-bromonicotinate (78686-79-0) → methyl 5-bromo-2-methoxy-3-pyridinecarboxylate (122433-41-4)

Guidance literature:

With sodium methylate; at 20 ℃; for 3h; Inert atmosphere;

Reference yield: 50.0%

sodium methylate (124-41-4) + methyl 2-chloro-5-bromonicotinate (78686-79-0) → methyl 5-bromo-2-methoxy-3-pyridinecarboxylate (122433-41-4)

Guidance literature:

In methanol; at 0 ℃; for 3.16h;

upstream raw materials:

methanol

5-bromo-2-methoxy-nicotinic acid

sodium methylate

methyl 2-chloro-5-bromonicotinate

Downstream raw materials:

methyl 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate

(5-bromo-2-methoxy-pyridin-3-yl)-methanol

5-bromo-2-methoxypyridine-3-carboxaldehyde