2,4-Diiodopyrimidine

Base Information

• Chemical Name: 2,4-Diiodopyrimidine
• CAS No.: 262353-34-4
• Molecular Formula: C4H 2I2N2
• Molecular Weight: 331.882
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID60459252
• Nikkaji Number: J1.634.483D
• Wikidata: Q82282979
• Mol file: 262353-34-4.mol

Synonyms:2,4-diiodopyrimidine;262353-34-4;Pyrimidine, 2,4-diiodo-;MFCD09743716;diiodopyrimidine;Pyrimidine,2,4-diiodo-;SCHEMBL433889;DTXSID60459252;OWKYCEXJWCVTMS-UHFFFAOYSA-N;AMY31720;AKOS015920092;DS-0250;SB58405;SY031024;CS-0045355;FT-0740296;EN300-2009633;A877299

Chemical Property of 2,4-Diiodopyrimidine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 125-126 °C
• Refractive Index: 1.737
• Boiling Point: 365.115 °C at 760 mmHg
• PKA: -2.60±0.20(Predicted)
• Flash Point: 174.615 °C
• PSA: 25.78000
• Density: 2.765 g/cm³
• LogP: 1.68580
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 331.83074
• Heavy Atom Count: 8
• Complexity: 78.4

Purity/Quality:

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

2,4-Diiodopyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(N=C1I)I

Technology Process of 2,4-Diiodopyrimidine

There total 1 articles about 2,4-Diiodopyrimidine 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: 91.0%

2,6-Dichloropyrimidine (3934-20-1) → 2,4‐diiodopyrimidine (262353-34-4)

Guidance literature:

With hydrogen iodide; at 20 ℃;

DOI:10.1021/jo010573+

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: 63.0%

4-ethynyl-N,N-dimethylaniline (17573-94-3,752235-18-0) + 2,4‐diiodopyrimidine (262353-34-4) → 2,4-bis-4-(N,N-dimethylamino)phenylethynylpyrimidine (1018473-98-7)

Guidance literature:

With copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; at 20 ℃; for 8h;

DOI:10.1016/j.tet.2008.01.037

upstream raw materials:

2,6-Dichloropyrimidine

Downstream raw materials:

2-iodo-4-methoxypyrimidine

2,4-diphenylpyrimidine

2-iodo-4-phenylpyrimidine

2,4-bis-phenylethynylpyrimidine

Refernces

• 1、 -. "HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME". Paragraph 00152; 00153. . Retrieved 2014/01/07.
• 2、 Schomaker,Delia. "Arylation of halogenated pyrimidines via a suzuki coupling reaction". . p. 7125 - 7128. Retrieved 2007/10/03.