3-benzoyl-5-iodo-1H-pyrimidine-2,4-dione

Base Information

Chemical Name:3-benzoyl-5-iodo-1H-pyrimidine-2,4-dione
CAS No.:161263-60-1
Molecular Formula:C11H7IN2O3
Molecular Weight:342.093
Hs Code.:
DSSTox Substance ID:DTXSID40457413
Wikidata:Q82280254
Mol file:161263-60-1.mol

Synonyms:3-benzoyl-5-iodo-1H-pyrimidine-2,4-dione;161263-60-1;3-benzoyl-5-iodouracil;N3-benzoyl-5-iodouracil;SCHEMBL2745392;DTXSID40457413;IFJZHMIMIMJXJU-UHFFFAOYSA-N;3-Benzoyl-5-iodopyrimidine-2,4(1H,3H)-dione

Suppliers and Price of 3-benzoyl-5-iodo-1H-pyrimidine-2,4-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of 3-benzoyl-5-iodo-1H-pyrimidine-2,4-dione

Chemical Property:

Melting Point:203-205 °C
PSA：72.19000
Density:1.98±0.1 g/cm3(Predicted)
LogP:1.24200
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:341.95014
Heavy Atom Count:17
Complexity:400

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)N2C(=O)C(=CNC2=O)I

Technology Process of 3-benzoyl-5-iodo-1H-pyrimidine-2,4-dione

There total 3 articles about 3-benzoyl-5-iodo-1H-pyrimidine-2,4-dione 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: 92.0%

: 98-88-4
benzoyl chloride

: 696-07-1
5-iodouracil

: 161263-60-1
5-iodo-3-benzoyl-1,3-dihydropyrimidine-2,4-dione

Guidance literature:: With pyridine; In acetonitrile; at 20 ℃; for 24h; regioselective reaction;
DOI:10.1016/j.tet.2011.05.017

Reference yield: 65.0%

: 2775-87-3
3-N-benzoyluracil

: 161263-60-1
5-iodo-3-benzoyl-1,3-dihydropyrimidine-2,4-dione

Guidance literature:: With ammonium cerium (IV) nitrate; iodine; In acetonitrile; for 2h; Reflux;
DOI:10.1021/acsmedchemlett.5b00298

Reference yield:

: 98-88-4
benzoyl chloride

: 161263-60-1
5-iodo-3-benzoyl-1,3-dihydropyrimidine-2,4-dione

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine / acetonitrile / 24 h / 20 °C

2: iodine; ammonium cerium (IV) nitrate / acetonitrile / 2 h / Reflux

With pyridine; ammonium cerium (IV) nitrate; iodine; In acetonitrile;
DOI:10.1021/acsmedchemlett.5b00298