6-Cyclopropyl-2-sulfanylpyrimidin-4-ol

Base Information

• Chemical Name: 6-Cyclopropyl-2-sulfanylpyrimidin-4-ol
• CAS No.: 7038-74-6
• Molecular Formula: C7H8N2OS
• Molecular Weight: 168.2162
• DSSTox Substance ID: DTXSID20220642
• Mol file: 7038-74-6.mol

Synonyms:7038-74-6;6-cyclopropyl-2-sulfanylpyrimidin-4-ol;6-Cyclopropyl-2-thiouracil;6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one;6-cyclopropyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one;Uracil, 6-cyclopropyl-2-thio-;6-Zyklopropylthiouracil;SCHEMBL10899837;DTXSID20220642;STL303753;AKOS006308919;AKOS025312722;CCG-358138;SB56929;EN300-172587;F1967-1251;F1967-1716;Z1198308528;4(1H)-Pyrimidinone, 6-cyclopropyl-2,3-dihydro-2-thioxo-

Chemical Property of 6-Cyclopropyl-2-sulfanylpyrimidin-4-ol

Chemical Property:

• Vapor Pressure: 1.31E-06mmHg at 25°C
• Boiling Point: 389.1°Cat760mmHg
• Flash Point: 189.1°C
• PSA: 84.81000
• Density: 1.41g/cm³
• LogP: 1.34830
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 168.03573406
• Heavy Atom Count: 11
• Complexity: 255

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

6-CYCLOPROPYL-2-SULFANYLPYRIMIDIN-4-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C2=CC(=O)NC(=S)N2
• Uses: 6-Cyclopropyl-2-sulfanylpyrimidin-4-ol is used in the the preparation of nucleic acid components and their analogs.

Technology Process of 6-Cyclopropyl-2-sulfanylpyrimidin-4-ol

There total 4 articles about 6-Cyclopropyl-2-sulfanylpyrimidin-4-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: 82.0%

thiourea (17356-08-0) + Ethyl 3-cyclopropyl-3-oxopropionate (24922-02-9) → 6-cyclopropyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one (7038-74-6)

Guidance literature:

Reflux;

DOI:10.3390/molecules25153379

Reference yield: 67.0%

methyl 3-cyclopropyl-3-oxopropanoate (32249-35-7) + thiourea (17356-08-0) → 6-cyclopropyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one (7038-74-6)

Guidance literature:

With sodium ethanolate; In ethanol; at 100 ℃; Inert atmosphere;

DOI:10.3109/14756366.2015.1135912

Reference yield:

→ 2-Mercapto-6-cyclopropyl-4-pyrimidinol (7038-74-6)

Guidance literature:

Ethyl-β-oxo-cyclopropanpropionat, Na, A., Thioharnstoff;

upstream raw materials:

thiourea

Ethyl 3-cyclopropyl-3-oxopropionate

methyl 3-cyclopropyl-3-oxopropanoate