5-Iodopyrimidin-2-ol

Base Information

• Chemical Name: 5-Iodopyrimidin-2-ol
• CAS No.: 79387-69-2
• Molecular Formula: C4H3 I N2 O
• Molecular Weight: 221.985
• Hs Code.: 2933599090
• NSC Number: 754229
• DSSTox Substance ID: DTXSID20474784
• Nikkaji Number: J2.379.899I
• Wikidata: Q72484570
• Mol file: 79387-69-2.mol

Synonyms:79387-69-2;5-iodopyrimidin-2-ol;2-Hydroxy-5-iodopyrimidine;5-Iodopyrimidin-2(1H)-one;5-IODO-2-PYRIMIDONE;5-iodo-1H-pyrimidin-2-one;2(1H)-Pyrimidinone, 5-iodo-;5-Iodo-2-hydroxypyrimidine;5-iodo-2(1H)-pyrimidinone;5-iodo-2-pyrimidinol;5-Iodopyrimidinone;5-iodopyrimidin-2-one;5-Iodopyrimidine-2-ol;AN-584/43273902;SCHEMBL1417135;DTXSID20474784;PVHCYDBPRLPQMP-UHFFFAOYSA-N;AMY12119;BCP23770;MFCD00130245;MFCD09744044;NSC754229;AKOS015919575;AKOS017344824;CS-W022398;NSC-754229;SB60524;AC-28831;AS-19084;SY023415;FT-0648716;EN300-266688;A864873;J-509647;Z2471547918

Chemical Property of 5-Iodopyrimidin-2-ol

Chemical Property:

• Vapor Pressure: 9.28E-07mmHg at 25°C
• Boiling Point: 393.6ºC at 760 mmHg
• PKA: 7.86±0.10(Predicted)
• Flash Point: 191.8ºC
• PSA: 46.01000
• Density: 2.403g/cm3
• LogP: 0.78680
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 221.92901
• Heavy Atom Count: 8
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

5-Iodopyrimidin-2(1H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=O)N1)I

Technology Process of 5-Iodopyrimidin-2-ol

There total 5 articles about 5-Iodopyrimidin-2-ol 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: 94.0%

2-hydroxypyrimidine hydrochloride (38353-09-2) → 5-iodo-2(1H)-pyrimidinone (79387-69-2)

Guidance literature:

With methanol; iodine; silver sulfate; at 20 ℃; for 16h; Darkness;

Reference yield: 77.5%

Pyrimidin-2(1H)-one (557-01-7) → 5-iodo-2(1H)-pyrimidinone (79387-69-2)

Guidance literature:

With N-iodo-succinimide; In N,N-dimethyl-formamide; for 48h; Ambient temperature;

DOI:10.1021/jm00145a010

Reference yield: 75.0%

2-pyrimidinone hydrochloride (38353-09-2,1450-92-6) → 5-iodo-2(1H)-pyrimidinone (79387-69-2)

Guidance literature:

With sodium dihydrogen phosphate; sodium iodine dichloride; In water; at 65 ℃; for 1.66667h;

upstream raw materials:

Pyrimidin-2(1H)-one

2-pyrimidinone hydrochloride

2-hydroxypyrimidine hydrochloride

Downstream raw materials:

2-chloro-5-iodopyrimidine

1-<3,5-bis-O-(p-chlorobenzoyl)-2-deoxy-β-D-ribofuranosyl>-5-iodo-2-pyrimidinone

5-iodo-2,4-bis-O-trimethylsilyluracil

5-iodo-2-[((1R)-1-methyl-2-{3-[(1-methylethyl)oxy]phenyl}ethyl)oxy]pyrimidine

Refernces

• 1、 -. "IDOXURIDINE AND ITS ANALOGS AS NEUROPROTECTANS FOR THE TREATMENT OF PARKINSONISM". Page/Page column 6; 22; 24; 25. . Retrieved 2018/08/26.
• 2、 Perez-Balado, Carlos,Willemsens, Albert,Ormerod, Dominic,Aelterman, Wim,Mertens, Narda. "Development of a concise scaleable synthesis of 2-chloro-5-(pyridin-2-yl) pyrimidine via a Negishi cross-coupling". . p. 237 - 240. Retrieved 2012/12/26.