4-Iodopicolinic acid

Base Information

• Chemical Name: 4-Iodopicolinic acid
• CAS No.: 405939-79-9
• Molecular Formula: C6H4INO2
• Molecular Weight: 249.01
• Hs Code.: 29333990
• European Community (EC) Number: 881-645-2
• DSSTox Substance ID: DTXSID90355935
• Nikkaji Number: J2.032.160A
• Wikidata: Q72484528
• Mol file: 405939-79-9.mol

Synonyms:4-Iodopicolinic acid;4-iodopyridine-2-carboxylic Acid;405939-79-9;4-Iodo-pyridine-2-carboxylic acid;2-Pyridinecarboxylic acid, 4-iodo-;MFCD03426666;4-Iodopicolinicacid;4-iodo-picolinic acid;4-Iodo Picolinic Acid;SCHEMBL232233;2-Pyridinecarboxylicacid,4-iodo-;DTXSID90355935;CEYJTEYGGAWURJ-UHFFFAOYSA-N;CL0291;STL227851;AKOS000270416;AM86949;CS-W006791;PB20818;PS-4914;SB37079;AC-28044;SY031004;A6783;FT-0649988;EN300-236427;AF-399/41061070;J-515580;4-iodopicolinic acid;4-Iodopyridine-2-carboxylic Acid;F1926-0015

Chemical Property of 4-Iodopicolinic acid

Chemical Property:

• Vapor Pressure: 2.49E-06mmHg at 25°C
• Melting Point: 164-166 °C
• Refractive Index: 1.677
• Boiling Point: 376.234 °C at 760 mmHg
• PKA: 3.29±0.10(Predicted)
• Flash Point: 181.34 °C
• PSA: 50.19000
• Density: 2.124 g/cm³
• LogP: 1.38440
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 248.92868
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

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

4-Iodopyridine-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C=C1I)C(=O)O

Technology Process of 4-Iodopicolinic acid

There total 4 articles about 4-Iodopicolinic acid 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: 89.0%

4-Chloro-pyridine-2-carboxylic acid methyl ester (24484-93-3) → 4-iodo-2-nicotinic acid (405939-79-9)

Guidance literature:

4-Chloro-pyridine-2-carboxylic acid methyl ester; With hydrogen iodide; hypophosphorous acid; In water; at 85 - 107 ℃;

With sodium hydroxide; In water; at 20 - 95 ℃; for 1h;

Reference yield:

4-Chloro-pyridine-2-carboxylic acid methyl ester (24484-93-3) + aqueous hypophosphorous acid → 4-iodo-2-nicotinic acid (405939-79-9)

Guidance literature:

With hydrogen iodide; In sodium hydroxide; water;

Reference yield:

2-Picolinic acid (98-98-6) → 4-iodo-2-nicotinic acid (405939-79-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium bromide; thionyl chloride / 5 h / 80 °C

2.1: 0.5 h / 20 °C

3.1: hydrogen iodide; hypophosphorous acid / water / 85 - 107 °C

3.2: 1 h / 20 - 95 °C

With thionyl chloride; hydrogen iodide; hypophosphorous acid; sodium bromide; In water;

upstream raw materials:

4-Chloro-pyridine-2-carboxylic acid methyl ester

2-Picolinic acid

4-chloropicolinic acid

Refernces

• 1、 -. "ALLOSTERIC MODULATORS OF 5-HYDROXYTRYPTAMINE 2C RECEPTOR (5-HT2CR)". Paragraph 00092. . Retrieved 2013/06/27.
• 2、 -. "Novel lincomycin derivatives possessing antibacterial activity". . . Retrieved 2008/06/13.