Methyl 3-iodopicolinate

Base Information

• Chemical Name: Methyl 3-iodopicolinate
• CAS No.: 73841-41-5
• Molecular Formula: C7H6INO2
• Molecular Weight: 263.035
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40356078
• Nikkaji Number: J3.007.137I
• Wikidata: Q82135224
• Mol file: 73841-41-5.mol

Synonyms:Methyl 3-iodopicolinate;73841-41-5;methyl 3-iodopyridine-2-carboxylate;3-Iodopyridine-2-carboxylic acid methyl ester;2-Pyridinecarboxylic acid, 3-iodo-, methyl ester;Methyl 3-iodo-2-pyridinecarboxylate;Methyl3-iodopicolinate;3-Iodo-2-pyridinecarboxylic acid methyl ester;SCHEMBL1541109;DTXSID40356078;ITYQUGKRGXNQSC-UHFFFAOYSA-N;MFCD01860192;DS-11532;Methyl 3-iodopyridine-2-carboxylate, 97%;3-Iodopyridine-2-carboxylic acid Methylester;CS-0150862;FT-0727145;3-iodo-2-pyridinecarboxylic acid, methyl ester;C76357;AJ-333/25022047

Chemical Property of Methyl 3-iodopicolinate

Chemical Property:

• Boiling Point: 298.5±20.0 °C(Predicted)
• PKA: -0.66±0.10(Predicted)
• Flash Point: >110℃
• PSA: 39.19000
• Density: 1.844±0.06 g/cm3(Predicted)
• LogP: 1.47280
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 262.94433
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl3-Iodopicolinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC=N1)I

Technology Process of Methyl 3-iodopicolinate

There total 6 articles about Methyl 3-iodopicolinate 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: 70.0%

methanol (67-56-1) + 3-iodopyridine-2-carboxylic acid (73841-32-4) → 3-iodo-pyridine-2-carboxylic acid methyl ester (73841-41-5)

Guidance literature:

methanol; 3-iodopyridine-2-carboxylic acid; With sulfuric acid; at 65 ℃; for 18h;

With sodium hydrogencarbonate; In water;

Reference yield:

methanol (67-56-1) → 3-iodo-pyridine-2-carboxylic acid methyl ester (73841-41-5)

Guidance literature:

2-Picolinic acid; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexanes; at -78 - 0 ℃; for 1.08333h;

With iodine; In tetrahydrofuran; hexanes; at 0 - 20 ℃; for 1.25h;

methanol; With oxalyl dichloride; N,N-dimethyl-formamide; more than 3 stages;

Reference yield:

methanol (67-56-1) + lithium 3-iodo-pyridine-2-carboxylate → 3-iodo-pyridine-2-carboxylic acid methyl ester (73841-41-5)

Guidance literature:

With sulfuric acid; at 0 - 70 ℃;

DOI:10.1021/ol800834q

upstream raw materials:

3-iodopyridine-2-carboxylic acid

methyl iodide

N-phenylpicolinamide

3-iodo-N-phenyl-2-pyridinecarboxamide

Downstream raw materials:

(E)-5-[1-(3-aminophenyl)propylidene]-1-isopropyl-5,10-dihydro-1H-indazolo[6,5-b]pyrido[3,2-e]oxepin

(3-iodo-pyridin-2-yl)-methanol

methyl 3-(4-formyl-3-methoxyphenyl)-2-pyridinecarboxylate

methyl 3-(4-formylphenyl)-2-pyridinecarboxylate