1-Cyclohexyluracil

Base Information

• Chemical Name: 1-Cyclohexyluracil
• CAS No.: 712-43-6
• Molecular Formula: C10H14N2O2
• Molecular Weight: 194.233
• Hs Code.: 29335990
• NSC Number: 76947
• DSSTox Substance ID: DTXSID80221397
• Nikkaji Number: J963.542D
• Wikidata: Q83099138
• Mol file: 712-43-6.mol

Synonyms:1-cyclohexyluracil

Chemical Property of 1-Cyclohexyluracil

Chemical Property:

• Refractive Index: 1.549
• PSA: 54.86000
• Density: 1.214 g/cm³
• LogP: 1.04180
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.105527694
• Heavy Atom Count: 14
• Complexity: 280

Purity/Quality:

99% ^*data from raw suppliers

1-Cyclohexyluracil ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 3/7-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)N2C=CC(=O)NC2=O
• Uses: 1-Cyclohexyluracil is used to model and study the properties of Uracil (U801000) under different contexts.

Technology Process of 1-Cyclohexyluracil

There total 5 articles about 1-Cyclohexyluracil 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: 99.0%

1-cyclohexyl-3-(3-ethoxyacryloyl)urea → 1-cyclohexyluracil (712-43-6)

Guidance literature:

With Dowex 50 H-form; In 1,4-dioxane; at 90 ℃; for 3h;

DOI:10.1016/j.tet.2009.08.019

Reference yield: 92.0%

1-cyclohexyl-4-(methylsulfanyl)pyrimidin-2(1H)-one (92050-23-2) → 1-cyclohexyluracil (712-43-6)

Guidance literature:

With potassium hydroxide; In ethanol; for 4h; Heating;

DOI:10.1002/ejoc.200500556

Reference yield:

1-Cyclohexyl-3-[(E)-3-dimethylamino-1-methylsulfanyl-prop-2-en-(E)-ylidene]-urea → 1-cyclohexyluracil (712-43-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / NaH / acetonitrile / 5 h / Heating

2: 92 percent / aq. KOH / ethanol / 4 h / Heating

With potassium hydroxide; sodium hydride; In ethanol; acetonitrile;

DOI:10.1002/ejoc.200500556

upstream raw materials:

1-cyclohexyl-4-(methylsulfanyl)pyrimidin-2(1H)-one

Downstream raw materials:

Acetic acid 3-cyclohexyl-5,5-difluoro-2,6-dioxo-hexahydro-pyrimidin-4-yl ester

5-Fluoruracil-1-cyclohexyl

Refernces

• 1、 Robin, Aelig,Julienne, Karine,Meslin, Jean-Claude,Deniaud, David. "Straightforward pyrimidine ring construction: A versatile tool for the synthesis of nucleobase and nucleoside analogues". . p. 634 - 643. Retrieved 2007/10/03.