1-[2-(2-Furyl)-4-mercapto-6-methylpyrimidin-5-yl]ethanone

Base Information

• Chemical Name: 1-[2-(2-Furyl)-4-mercapto-6-methylpyrimidin-5-yl]ethanone
• CAS No.: 13995-71-6
• Molecular Formula: C₁₁H₁₀N₂O₂S
• Molecular Weight: 234.279
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90557932
• Wikidata: Q82440007
• Mol file: 13995-71-6.mol

Synonyms:13995-71-6;1-[2-(2-furyl)-4-mercapto-6-methylpyrimidin-5-yl]ethanone;1-[2-(furan-2-yl)-6-methyl-4-sulfanylidene-1,4-dihydropyrimidin-5-yl]ethan-1-one;1-[2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone;DTXSID90557932;AKOS022180353;EN300-27351;G25324;AB00773628-01;Z235340023;1-[2-(furan-2-yl)-4-methyl-6-sulfanylpyrimidin-5-yl]ethan-1-one

Chemical Property of 1-[2-(2-Furyl)-4-mercapto-6-methylpyrimidin-5-yl]ethanone

Chemical Property:

• PSA: 90.98000
• LogP: 2.91020
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 234.04629874
• Heavy Atom Count: 16
• Complexity: 412

Purity/Quality:

97% ^*data from raw suppliers

1-[2-(furan-2-yl)-6-methyl-4-sulfanylidene-1,4-dihydropyrimidin-5-yl]ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=S)N=C(N1)C2=CC=CO2)C(=O)C

Technology Process of 1-[2-(2-Furyl)-4-mercapto-6-methylpyrimidin-5-yl]ethanone

There total 1 articles about 1-[2-(2-Furyl)-4-mercapto-6-methylpyrimidin-5-yl]ethanone 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:

furan-2-carboxylic acid 2-acetyl-3-amino-but-2-enethioylamide (13996-04-8) → 4-Mercapto-6-methyl-5-acetyl-2-(furyl-2)-pyrimidin (13995-71-6)

Guidance literature:

With sodium hydroxide;

Reference yield:

4-Mercapto-6-methyl-5-acetyl-2-(furyl-2)-pyrimidin (13995-71-6) → 2-Furan-2-yl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid [4-oxo-3-phenyl-thiazolidin-(2Z)-ylidene]-hydrazide

Guidance literature:

Multi-step reaction with 4 steps

1: 95 percent / aq. sodium carbonate / 1 h

2: 98percent hydrazine hydrate / ethanol / 0.17 h / Ambient temperature

3: dioxane / 1 h / Heating

4: anhydrous sodium acetate / ethanol / 3 h / Heating

With sodium acetate; sodium carbonate; hydrazine hydrate; In 1,4-dioxane; ethanol;

Reference yield:

4-Mercapto-6-methyl-5-acetyl-2-(furyl-2)-pyrimidin (13995-71-6) → 2-Furan-2-yl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid (4-oxo-2-phenyl-thiazolidin-3-yl)-amide

Guidance literature:

Multi-step reaction with 4 steps

1: 95 percent / aq. sodium carbonate / 1 h

2: 98percent hydrazine hydrate / ethanol / 0.17 h / Ambient temperature

3: 82 percent / methanol / 1 h / Heating

4: 40 percent / benzene / 20 h / Heating

With sodium carbonate; hydrazine hydrate; In methanol; ethanol; benzene;

upstream raw materials:

furan-2-carboxylic acid 2-acetyl-3-amino-but-2-enethioylamide

Downstream raw materials:

(5-Acetyl-2-furan-2-yl-6-methyl-pyrimidin-4-ylsulfanyl)-acetic acid [1-phenyl-meth-(E)-ylidene]-hydrazide

(5-Acetyl-2-furan-2-yl-6-methyl-pyrimidin-4-ylsulfanyl)-acetic acid [1-phenyl-eth-(E)-ylidene]-hydrazide

(5-Acetyl-2-furan-2-yl-6-methyl-pyrimidin-4-ylsulfanyl)-acetic acid [1-(4-chloro-phenyl)-meth-(E)-ylidene]-hydrazide

(5-Acetyl-2-furan-2-yl-6-methyl-pyrimidin-4-ylsulfanyl)-acetic acid [1-(4-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide