L-2-Mercapto-4-hydroxy-5-fluoropyrimidine

Base Information

• Chemical Name: L-2-Mercapto-4-hydroxy-5-fluoropyrimidine
• CAS No.: 1542-23-0
• Molecular Formula: C4H3 F N2 O S
• Molecular Weight: 146.145
• DSSTox Substance ID: DTXSID00449970
• Nikkaji Number: J27.891B
• Wikidata: Q82269521
• Mol file: 1542-23-0.mol

Synonyms:1542-23-0;L-2-Mercapto-4-hydroxy-5-fluoropyrimidine;5-fluoro-2-sulfanylidene-1H-pyrimidin-4-one;4(1H)-Pyrimidinone, 5-fluoro-2,3-dihydro-2-thioxo- (9CI);5-fluorothiouracil;SCHEMBL10509279;DTXSID00449970;5-fluoro-2-mercaptopyrimidin-4-ol;AKOS006275498;AKOS016002363;SB55985;FT-0692727;A883744;2-Thioxo-5-fluoro-1,2-dihydropyrimidine-4(3H)-one;2-(2,3-DICHLORO-PHENYL)-THIAZOLE-4-CARBOXYLICACID

Chemical Property of L-2-Mercapto-4-hydroxy-5-fluoropyrimidine

Chemical Property:

• PSA: 80.74000
• LogP: 0.57160
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 145.99501206
• Heavy Atom Count: 9
• Complexity: 201

Purity/Quality:

98%min ^*data from raw suppliers

5-Fluoro-2-thioxo-2,3-dihydropyrimidin-4(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(=O)NC(=S)N1)F

Technology Process of L-2-Mercapto-4-hydroxy-5-fluoropyrimidine

There total 4 articles about L-2-Mercapto-4-hydroxy-5-fluoropyrimidine 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: 64.0%

5-fluoro-2-thiocytosine (67316-49-8) → 5-fluoro-2-thiouracil (1542-23-0)

Guidance literature:

With hydrogenchloride; at 100 ℃; for 20h;

DOI:10.1021/jm00075a016

Reference yield:

5-fluoro-2-methylthio-3H-pyrimidin-4-one (1480-92-8) → 5-fluoro-2-thiouracil (1542-23-0)

Guidance literature:

With hydrogen iodide; acetic anhydride; acetic acid;

DOI:10.1021/ja01573a087

Reference yield:

2-benzylsulfanyl-5-fluoro-3H-pyrimidin-4-one (722-18-9) → 5-fluoro-2-thiouracil (1542-23-0)

Guidance literature:

With aluminium trichloride;

upstream raw materials:

5-fluoro-2-methylthio-3H-pyrimidin-4-one

2-benzylsulfanyl-5-fluoro-3H-pyrimidin-4-one

5-fluoro-2-thiocytosine

Downstream raw materials:

5-fluorouracil

Refernces