6-Iodouracil

Base Information

• Chemical Name: 6-Iodouracil
• CAS No.: 4269-94-7
• Molecular Formula: C4H3IN2O2
• Molecular Weight: 237.985
• Hs Code.: 2933599090
• NSC Number: 51094
• DSSTox Substance ID: DTXSID00195389
• Nikkaji Number: J2.460.537J
• Wikidata: Q72484790
• Mol file: 4269-94-7.mol

Synonyms:6-iodouracil

Chemical Property of 6-Iodouracil

Chemical Property:

• Refractive Index: 1.705
• PKA: 6.32±0.10(Predicted)
• PSA: 65.72000
• Density: 2.394 g/cm³
• LogP: -0.33220
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 237.92392
• Heavy Atom Count: 9
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

6-Iodouracil 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(NC(=O)NC1=O)I

Technology Process of 6-Iodouracil

There total 2 articles about 6-Iodouracil 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: 98.0%

6-chlorouracil (4270-27-3) → 6-iodo-2,4-dioxopyrimidine (4269-94-7)

Guidance literature:

With hydrogen iodide; sodium iodide; at 20 ℃; for 24h;

DOI:10.1021/jacs.7b09568

Reference yield:

→ 6-iodo-2,4-dioxopyrimidine (4269-94-7)

Guidance literature:

DOI:10.1021/jo01067a091

Reference yield: 82.0%

diphenyl diselenide (1666-13-3) + 6-iodo-2,4-dioxopyrimidine (4269-94-7) → 6-iodo-5-(phenylselanyl)pyrimidine-2,4(1H,3H)-dione

Guidance literature:

With potassium iodide; In dimethyl sulfoxide; at 20 ℃; for 14h; Electrolysis; Green chemistry;

DOI:10.1016/j.cclet.2020.09.034

upstream raw materials:

6-chlorouracil

Downstream raw materials:

(E)-6-(3-oxo-3-p-tolylprop-1-enyl)pyrimidine-2,4(1H,3H)-dione

6-allylpyrimidine-2,4(1H,3H)-dione

6-iodo-1,3-bis-(4-methoxy-benzyl)-1H-pyrimidine-2,4-dione

Refernces

• 1、 -. "PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN". Page/Page column 37. . Retrieved 2012/01/13.
• 2、 -. "Prokineticin 1 receptor antagonists". Page/Page column 43-44. . Retrieved 2008/12/04.