1-(2-Hydroxyethoxymethyl)-2-thioxo-pyrimidin-4-one

Base Information

• Chemical Name: 1-(2-Hydroxyethoxymethyl)-2-thioxo-pyrimidin-4-one
• CAS No.: 132885-31-5
• Molecular Formula: C7H10N2O3S
• Molecular Weight: 202.2309
• ChEMBL ID: CHEMBL204329
• DSSTox Substance ID: DTXSID20467494
• Wikidata: Q82294459
• Mol file: 132885-31-5.mol

Synonyms:132885-31-5;1-(2-hydroxyethoxymethyl)-2-sulfanylidenepyrimidin-4-one;1-(2-HYDROXY-ETHOXYMETHYL)-2-THIOXO-2,3-DIHYDRO-1H-PYRIMIDIN-4-ONE;1-((2-Hydroxyethoxy)methyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one;1-(2-hydroxyethoxymethyl)-2-thioxo-pyrimidin-4-one;CHEMBL204329;DTXSID20467494;1-(2-Hydroxy-ethoxymethyl)-2-thioxo;AKOS015965988;4(1H)-Pyrimidinone, 2,3-dihydro-1-[(2-hydroxyethoxy)methyl]-2-thioxo-;1-[(2-Hydroxyethoxy)methyl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

Chemical Property of 1-(2-Hydroxyethoxymethyl)-2-thioxo-pyrimidin-4-one

Chemical Property:

• PSA: 99.60000
• LogP: 0.28460
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 202.04121336
• Heavy Atom Count: 13
• Complexity: 242

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

1-(2-HYDROXY-ETHOXYMETHYL)-2-THIOXO-2,3-DIHYDRO-1H-PYRIMIDIN-4-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C(=S)NC1=O)COCCO

Technology Process of 1-(2-Hydroxyethoxymethyl)-2-thioxo-pyrimidin-4-one

There total 2 articles about 1-(2-Hydroxyethoxymethyl)-2-thioxo-pyrimidin-4-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: 92.0%

1-(2-acetoxyethoxy methyl)-2-thiouracil (116457-79-5) → 1-<(2-hydroxyethoxy)methyl>-2-thiouracil (132885-31-5)

Guidance literature:

With sodium hydroxide; In ethanol; for 0.166667h; Ambient temperature;

DOI:10.1021/jm00108a023

Reference yield:

1,3-DIOXOLANE (646-06-0) + 4-trimethylsilyloxy-2-trimethylsilylthiopyrimidine (32865-74-0) → 1-<(2-hydroxyethoxy)methyl>-2-thiouracil (132885-31-5)

Guidance literature:

With chloro-trimethyl-silane; potassium iodide; at 25 ℃; for 16h;

DOI:10.1021/jm058271d

upstream raw materials:

1-(2-acetoxyethoxy methyl)-2-thiouracil

1,3-DIOXOLANE

4-trimethylsilyloxy-2-trimethylsilylthiopyrimidine