3-Iodopicolinic acid

Base Information

• Chemical Name: 3-Iodopicolinic acid
• CAS No.: 73841-32-4
• Molecular Formula: C6H4INO2
• Molecular Weight: 249.00593
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80460229
• Nikkaji Number: J1.773.674D
• Mol file: 73841-32-4.mol

Synonyms:3-Iodopicolinic acid;73841-32-4;3-iodopyridine-2-carboxylic Acid;MFCD01928487;2-Pyridinecarboxylic acid, 3-iodo-;3-IODOPICOLINICACID;Oprea1_060785;SCHEMBL364342;DTXSID80460229;NBPSOUHMLHTKID-UHFFFAOYSA-N;3-iodo-pyridine-2-carboxylic acid;AMY13964;AKOS015891650;AB10544;CS-W021949;GS-3991;3-IODO-2-PYRIDINECARBOXYLIC ACID;SY104913;FT-0645649;FT-0652939;A22756;J-512704

Chemical Property of 3-Iodopicolinic acid

Chemical Property:

• Vapor Pressure: 1.69E-05mmHg at 25°C
• Refractive Index: 1.677
• Boiling Point: 350 °C at 760 mmHg
• Flash Point: 165.5 °C
• PSA: 50.19000
• Density: 2.123 g/cm³
• LogP: 1.38440
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °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%min ^*data from raw suppliers

3-IodopicolinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Iodopicolinic acid

There total 5 articles about 3-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: 66.0%

2-Picolinic acid (98-98-6) → 3-iodopyridine-2-carboxylic acid (73841-32-4)

Guidance literature:

2-Picolinic acid; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; at -78 - 30 ℃; for 0.5h;

With iodine; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield: 55.0%

lithium 3-iodo-pyridine-2-carboxylate → 3-iodopyridine-2-carboxylic acid (73841-32-4)

Guidance literature:

With Amberlyst(R) IR-200; In methanol; at 20 ℃; for 0.25h;

DOI:10.1016/S0040-4020(02)00673-7

Reference yield:

3-iodo-N-phenyl-2-pyridinecarboxamide (57841-90-4) → 3-iodopyridine-2-carboxylic acid (73841-32-4)

Guidance literature:

With hydrogenchloride; for 15h; Heating;

DOI:10.1080/00397919708003053

upstream raw materials:

3-amino-pyridine-2-carboxylic acid

3-iodo-N-phenyl-2-pyridinecarboxamide

2-Picolinic acid

N-phenylpicolinamide

Downstream raw materials:

3-iodo-pyridine-2-carboxylic acid methyl ester

Refernces

• 1、 -. "Heteroaryl amide derivative and use thereof as TGR5 agonist". Paragraph 0246; 0247; 0248. . Retrieved 2017/06/02.
• 2、 -. "PIPERAZINE HETEROARYL DERIVATES AS GPR38 AGONISTS". Page/Page column 38-39. . Retrieved 2010/11/25.