4-Amino-6-iodopyrimidine

Base Information

• Chemical Name: 4-Amino-6-iodopyrimidine
• CAS No.: 53557-69-0
• Molecular Formula: C₄H₄IN₃
• Molecular Weight: 221
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID00482781
• Wikidata: Q82319481
• Mol file: 53557-69-0.mol

Synonyms:6-iodopyrimidin-4-amine;4-Amino-6-iodopyrimidine;53557-69-0;MFCD11109819;PERFLUOROPENTANOICACID;SCHEMBL4716368;6-Iodopyrimidin-4-amine, 95%;DTXSID00482781;LQSJUQMCZHVKES-UHFFFAOYSA-N;AKOS015855040;CS-W022505;SB60614;DS-10605;SY076090;FT-0723463;EN300-1272901;A870694

Chemical Property of 4-Amino-6-iodopyrimidine

Chemical Property:

• Melting Point: 207-210 °C
• Boiling Point: 345 °C at 760 mmHg
• PKA: 2.59±0.10(Predicted)
• Flash Point: 162.4 °C
• PSA: 51.80000
• Density: 2.204 g/cm³
• LogP: 1.24460
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 220.94499
• Heavy Atom Count: 8
• Complexity: 77.7

Purity/Quality:

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

4-Amino-6-iodopyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=CN=C1I)N

Technology Process of 4-Amino-6-iodopyrimidine

There total 6 articles about 4-Amino-6-iodopyrimidine 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: 76.0%

4,6-diiodopyrimidine (19646-06-1) → 6-iodopyrimidin-4-ylamine (53557-69-0)

Guidance literature:

With ammonium hydroxide; In ethanol; at 106 ℃; for 36h;

DOI:10.1016/j.bmc.2006.12.029

Reference yield: 70.0%

4-amino-6-chloropyrimidine (5305-59-9) → 6-iodopyrimidin-4-ylamine (53557-69-0)

Guidance literature:

With hydrogen iodide; sodium iodide; In water; at 70 ℃; for 0.5h;

Reference yield:

4-amino-6-bromopyrimidine (1159818-57-1) → 6-iodopyrimidin-4-ylamine (53557-69-0)

Guidance literature:

With hydrogen iodide; sodium iodide; at 20 ℃; for 48h;

upstream raw materials:

4-amino-2,6-dichloropyrimidine

hydrogen iodide

4,6-diiodopyrimidine

4-amino-6-chloropyrimidine

Downstream raw materials:

pyrimidin-4-amine

Refernces

• 1、 -. "PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS". Page/Page column 84-85. . Retrieved 2016/06/01.
• 2、 Matulenko, Mark A.,Paight, Ernest S.,Frey, Robin R.,Gomtsyan, Arthur,DiDomenico Jr., Stanley,Jiang, Meiqun,Lee, Chih-Hung,Stewart, Andrew O.,Yu, Haixia,Kohlhaas, Kathy L.,Alexander, Karen M.,McGaraughty, Steve,Mikusa, Joseph,Marsh, Kennan C.,Muchmore, Steven W.,Jakob, Clarissa L.,Kowaluk, Elizabeth A.,Jarvis, Michael F.,Bhagwat, Shripad S.. "4-Amino-5-aryl-6-arylethynylpyrimidines: Structure-activity relationships of non-nucleoside adenosine kinase inhibitors". . p. 1586 - 1605. Retrieved 2008/02/01.