Methyl 2-bromoisonicotinate

Base Information

• Chemical Name: Methyl 2-bromoisonicotinate
• CAS No.: 26156-48-9
• Molecular Formula: C7H6 Br N O2
• Molecular Weight: 216.034
• Hs Code.: 2933399090
• European Community (EC) Number: 626-474-4
• DSSTox Substance ID: DTXSID00397265
• Nikkaji Number: J149.526G
• Wikidata: Q72488823
• Mol file: 26156-48-9.mol

Synonyms:26156-48-9;methyl 2-bromoisonicotinate;Methyl 2-bromopyridine-4-carboxylate;2-Bromo-isonicotinic acid methyl ester;2-Bromoisonicotinic acid methyl ester;MFCD03791265;2-BROMOPYRIDINE-4-CARBOXYLIC ACID METHYL ESTER;methyl-2-bromoisonicotinate;2-Bromo-4-pyridine carboxylic acid methyl ester;METHYL 2-BROMO-4-PYRIDINECARBOXYLATE;methyl-2-bromo-isonicotinate;SCHEMBL46685;METHYL2-BROMOISONICOTINATE;4-PYRIDINECARBOXYLIC ACID, 2-BROMO-, METHYL ESTER;DTXSID00397265;MULLTHQTADMZDM-UHFFFAOYSA-N;BBA15648;AM9860;BBL101279;STL555075;AKOS005145702;AB16210;CS-W008679;PS-6226;AC-24953;SY016338;Methyl 2-bromopyridine-4-carboxylate, 95%;2 - Bromo - isonicotinic acid methyl ester;A5185;FT-0600146;M2461;EN300-1231170;J-400988;Z1269243695;Methyl 2-Bromopyridine-4-carboxylate

Chemical Property of Methyl 2-bromoisonicotinate

Chemical Property:

• Vapor Pressure: 0.008mmHg at 25°C
• Melting Point: 35-36
• Boiling Point: 268°Cat760mmHg
• PKA: -1.32±0.10(Predicted)
• Flash Point: 115.9°C
• PSA: 39.19000
• Density: 1.579g/cm³
• LogP: 1.63070
• Storage Temp.: Keep Cold
• Solubility.: soluble in Methanol
• XLogP3: 1.6
• 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:

99.9% ^*data from raw suppliers

Methyl 2-bromoisonicotinate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=NC=C1)Br

Technology Process of Methyl 2-bromoisonicotinate

There total 3 articles about Methyl 2-bromoisonicotinate 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: 94.0%

methanol (67-56-1) + 2-bromoisonicotinic acid (66572-56-3) → methyl 2-bromoisonicotinate (26156-48-9)

Guidance literature:

With sulfuric acid; at 70 ℃;

Reference yield: 82.0%

2-bromoisonicotinic acid (66572-56-3) + methyl iodide (74-88-4) → methyl 2-bromoisonicotinate (26156-48-9)

Guidance literature:

2-bromoisonicotinic acid; With potassium phosphate; In acetone; at 20 ℃; for 0.5h;

methyl iodide; In acetone; for 2h; Reflux;

DOI:10.1016/j.poly.2016.07.029

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2-bromoisonicotinic acid (66572-56-3) → methyl 2-bromoisonicotinate (26156-48-9)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01104a046

upstream raw materials:

diazomethane

2-bromoisonicotinic acid

methanol

methyl iodide

Downstream raw materials:

(2-bromopyridin-4-yl)methanol

methyl 2-(2-aminophenyl)pyridine-4-carboxylate

2-Cyano-4-carbomethoxypyridine

Refernces

• 1、 Wang, Tianqi,Zhang, Rong,Liu, Yang,Fang, Zhen,Zhang, Hailin,Fan, Yan,Yang, Shengyong,Xiang, Rong. "Discovery of a new class of JMJD6 inhibitors and structure–activity relationship study". supporting information. . Retrieved 2021/05/27.
• 2、 -. "POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE". Paragraph 247. . Retrieved 2018/10/19.