5-Fluoro-2-methoxypyrimidin-4(3H)-one

Base Information

• Chemical Name: 5-Fluoro-2-methoxypyrimidin-4(3H)-one
• CAS No.: 1480-96-2
• Deprecated CAS: 1480-97-3
• Molecular Formula: C5H5FN2O2
• Molecular Weight: 144.105
• Hs Code.: 29335990
• European Community (EC) Number: 473-810-9,689-170-0
• NSC Number: 527067
• UNII: TY6TM2YC2Q
• DSSTox Substance ID: DTXSID50326323
• Nikkaji Number: J27.900E
• Wikidata: Q72489912
• Mol file: 1480-96-2.mol

Synonyms:1480-96-2;2-Methoxy-5-fluorouracil;5-Fluoro-2-methoxypyrimidin-4(3H)-one;5-Fluoro-2-methoxy-4(1H)pyrimidinone;5-fluoro-2-methoxypyrimidin-4-ol;5-fluoro-4-hydroxy-2-methoxypyrimidine;2-Methoxy-5-fluororacil;5-fluoro-2-methoxy-1H-pyrimidin-6-one;5-Fluoro-2-methoxy-3H-pyrimidin-4-one;5-Fluoro-2-methoxy-4-pyrimidinone;4(1H)-Pyrimidinone, 5-fluoro-2-methoxy-;5-fluoro-2-methoxy-pyrimidin-4-ol;138954-92-4;2-O-Methyl-5-fluorouracil;MFCD03265437;NSC 527067;NSC-527067;1866248-46-5;NSC527067;5-fluoro-2-methoxypyrimidin-4(1H)-one;TY6TM2YC2Q;O(C)c1ncc(F)c(O)n1;AMY225;SCHEMBL12143815;DTXSID50326323;5-Fluoro-2-methoxy-4-pyrimidinol;BCP18961;AKOS006223207;AKOS022174622;AKOS028109256;CS-W013316;PS-8988;2-Methoxy-4-hydroxy-5-fluoropyrimidine;5-fluoro-2-methoxy-4(1h)-pyrimidinone;5-Fluoro-2-methoxy-4(3H)-pyrimidinone;AC-24737;SY018378;F0547;FT-0633588;5-Fluoro-2-methoxy-4(1H)pyrimidinone, 97%;EC 473-810-9;EN300-100777;4(3H)-PYRIMIDINONE, 5-FLUORO-2-METHOXY-;J-509825;Z1354416067

Chemical Property of 5-Fluoro-2-methoxypyrimidin-4(3H)-one

Chemical Property:

• Vapor Pressure: 0.001Pa at 25℃
• Melting Point: 204-208 °C(lit.)
• Refractive Index: 1.536
• Boiling Point: 225.1℃[at 101 325 Pa]
• PKA: 6.34±0.50(Predicted)
• PSA: 55.24000
• Density: 1.44 g/cm³
• LogP: 0.32990
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 5.49g/L at 20℃
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 144.03350557
• Heavy Atom Count: 10
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

5-Fluoro-4-hydroxy-2-methoxypyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=NC=C(C(=O)N1)F
• Uses: 5-Fluoro-4-hydroxy-2-methoxypyrimidine (cas# 1480-96-2) is a compound useful in organic synthesis.

Technology Process of 5-Fluoro-2-methoxypyrimidin-4(3H)-one

There total 5 articles about 5-Fluoro-2-methoxypyrimidin-4(3H)-one 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:

O-methylisourea hydrosulfate (24285-39-0) + methyl fluoroacetate (453-18-9) + formic acid ethyl ester (109-94-4) → 2-methoxy-5-fluorouracil (1480-96-2)

Guidance literature:

formic acid ethyl ester; With sodium methylate; In toluene; at 10 - 20 ℃; Large scale;

methyl fluoroacetate; In toluene; at 8 - 40 ℃; for 20h; Large scale;

O-methylisourea hydrosulfate; With sodium methylate; In methanol; at 40 ℃; for 6h; Large scale;

Reference yield:

→ 2-methoxy-5-fluorouracil (1480-96-2)

Guidance literature:

DOI:10.1021/ja01573a087

Reference yield:

ethanol (64-17-5) + sodium methylate (124-41-4) + o-methylisourea hydrochloride (5329-33-9) → 2-methoxy-5-fluorouracil (1480-96-2)

Guidance literature:

DOI:10.1021/ja01573a087

upstream raw materials:

ethanol

sodium methylate

o-methylisourea hydrochloride

O-methylisourea hydrosulfate

Downstream raw materials:

5-fluorouracil

2-methoxy-4-chloro-5-fluoropyrimidine

Refernces

• 1、 Yamashita,Yamawaki,Ueda,Yasumoto,Unemi,Hashimoto. "Studies on antitumor agents. V. Syntheses and antitumor activities of 5-fluorouracil derivatives". . p. 4258 - 4267. Retrieved 2007/10/02.