2-Chloro-4-iodonicotinic acid

Base Information

• Chemical Name: 2-Chloro-4-iodonicotinic acid
• CAS No.: 544671-78-5
• Molecular Formula: C6H3ClINO2
• Molecular Weight: 283.453
• Hs Code.: 2933399090
• European Community (EC) Number: 676-515-5
• DSSTox Substance ID: DTXSID50590320
• Nikkaji Number: J2.098.673E
• Wikidata: Q82484039
• Mol file: 544671-78-5.mol

Synonyms:2-CHLORO-4-IODONICOTINIC ACID;544671-78-5;2-Chloro-4-Iodopyridine-3-Carboxylic Acid;2-Chloro-4-iodo-nicotinic acid;3-PYRIDINECARBOXYLIC ACID, 2-CHLORO-4-IODO-;MFCD05663520;2-Chloro-4-iodonicotinicacid;SCHEMBL1989103;DTXSID50590320;XOMBFOCJXYZRSI-UHFFFAOYSA-N;GEO-02915;AKOS015849894;AB21846;CS-W004021;AC-27980;AS-66056;BP-10903;SY022678;2-chloro-4-iodo-3-pyridinecarboxylic acid;2-Chloro-4-iodopyridine-3-carboxylic acid, 97%;A830199

Chemical Property of 2-Chloro-4-iodonicotinic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 175-178°C (dec.)
• Refractive Index: 1.684
• Boiling Point: 369.284°C at 760 mmHg
• PKA: 0.73±0.25(Predicted)
• Flash Point: 177.137°C
• PSA: 50.19000
• Density: 2.194g/cm³
• LogP: 2.03780
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Light Sensitive
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 282.88970
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-4-iodonicotinicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CN=C(C(=C1I)C(=O)O)Cl
• Uses: 2-Chloro-4-iodonicotinic acid is used as a pharmaceutical intermediates.

Technology Process of 2-Chloro-4-iodonicotinic acid

There total 3 articles about 2-Chloro-4-iodonicotinic 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: 81.0%

2-chloro-4-iodopyridine (153034-86-7) + carbon dioxide (124-38-9,18923-20-1) → 2-chloro-4-iodo-3-pyridinecarboxylic acid (544671-78-5)

Guidance literature:

2-chloro-4-iodopyridine; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 5h;

carbon dioxide; at -78 - 20 ℃; for 1h;

Reference yield: 81.0%

carbon dioxide (124-38-9,18923-20-1) + 2-chloro-3-iodopyridine (78607-36-0) → 2-chloro-4-iodo-3-pyridinecarboxylic acid (544671-78-5)

Guidance literature:

2-chloro-3-iodopyridine; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃;

carbon dioxide; In tetrahydrofuran;

DOI:10.1016/j.bmc.2005.06.015

Reference yield:

2-chloro-4-iodopyridine-3-carboxylic acid ethyl ester → 2-chloro-4-iodo-3-pyridinecarboxylic acid (544671-78-5)

Guidance literature:

With water; lithium hydroxide; In methanol; at 70 ℃; for 6h;

upstream raw materials:

carbon dioxide

2-chloro-3-iodopyridine

2-chloro-4-iodopyridine

Downstream raw materials:

2-chloro-N-(2,4-difluorophenyl)-4-iodonicotinamide

N-[3,5-bis(trifluoromethyl)benzyl]-2-chloro-N-(3-hydroxypropyl)-4-iodo-3-pyridinecarboxamide

6-((1R,2S)-2-aminocyclohexylamino)-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one

tert-butyl (1S,2R)-2-(4-(1-methyl-1H-pyrazol-4-yl)-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-ylamino)cyclohexylcarbamate