2-Iodo-4-methoxypyrimidine

Base Information

• Chemical Name: 2-Iodo-4-methoxypyrimidine
• CAS No.: 262353-35-5
• Molecular Formula: C5H5 I N2 O
• Molecular Weight: 236.012
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID00473179
• Nikkaji Number: J1.239.219B
• Wikidata: Q82302383
• Mol file: 262353-35-5.mol

Synonyms:2-iodo-4-methoxypyrimidine;262353-35-5;Pyrimidine, 2-iodo-4-methoxy-;MFCD08275719;2-iodo-4-methoxy-pyrimidine;2-Iodo-4-methyoxypyrimidine;pyrimidine,2-iodo-4-methoxy-;2-iodanyl-4-methoxy-pyrimidine;AMY145;SCHEMBL2120022;DTXSID00473179;HJMVIKKKZCNEGZ-UHFFFAOYSA-N;Pyrimidine,2-iodo-4-methoxy-(9ci);ZB0614;AKOS015852210;SB60667;DS-10311;SY109839;FT-0645573;FT-0657197;A818336;J-509709

Chemical Property of 2-Iodo-4-methoxypyrimidine

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.605
• Boiling Point: 318.793ºC at 760 mmHg
• PKA: 0.35±0.20(Predicted)
• Flash Point: 146.601ºC
• PSA: 35.01000
• Density: 1.935g/cm3
• LogP: 1.08980
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 235.94466
• Heavy Atom Count: 9
• Complexity: 91

Purity/Quality:

97% ^*data from raw suppliers

2-Iodo-4-methoxypyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC(=NC=C1)I

Technology Process of 2-Iodo-4-methoxypyrimidine

There total 2 articles about 2-Iodo-4-methoxypyrimidine 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: 95.0%

methanol (67-56-1) + 2,4‐diiodopyrimidine (262353-34-4) → 2-iodo-4-methoxypyrimidine (262353-35-5)

Guidance literature:

With sodium; for 5h; Heating;

DOI:10.1016/S0040-4020(99)00948-5

Reference yield: 89.0%

2-chloro-4-methoxypyrimidine (22536-63-6) → 2-iodo-4-methoxypyrimidine (262353-35-5)

Guidance literature:

With hydrogen iodide;

DOI:10.1055/s-0034-1378331

Reference yield: 94.0%

4-hydroxythioanisole (1073-72-9) + 2-iodo-4-methoxypyrimidine (262353-35-5) → 4-methoxy-2-(4-methylthiophenoxy)pyrimidine

Guidance literature:

With potassium phosphate; copper(l) iodide; N-(2-phenylphenyl)-N′-benzyl oxalamide; In acetonitrile; at 90 ℃; for 24h; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.joc.7b00493

upstream raw materials:

methanol

2,4‐diiodopyrimidine

2-chloro-4-methoxypyrimidine

Downstream raw materials:

1-(4-methoxy-2-pyrimidinyl)ethanone

2-phenyl-4-methoxypyrimidine

4-methoxy-2-(4-methoxyphenyl)pyrimidine

C₁₂H₁₂N₂O₂