1-Cyclohexyl-5-ethylbarbituric acid

Base Information

• Chemical Name: 1-Cyclohexyl-5-ethylbarbituric acid
• CAS No.: 837-32-1
• Molecular Formula: C12H18 N2 O3
• Molecular Weight: 238.287
• European Community (EC) Number: 212-653-0
• DSSTox Substance ID: DTXSID801003700
• Nikkaji Number: J54.733F
• Mol file: 837-32-1.mol

Synonyms:1-Cyclohexyl-5-ethylbarbituric acid;837-32-1;1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;BRN 0888427;EINECS 212-653-0;BARBITURIC ACID, 1-CYCLOHEXYL-5-ETHYL-;1-Cyclohexyl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione;2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-cyclohexyl-5-ethyl-;SCHEMBL94928;DTXSID801003700;MFCD01665947;1-cyclohexyl-5-ethyl-barbituric acid;LS-24053;3-Cyclohexyl-5-ethyl-6-hydroxypyrimidine-2,4(3H,5H)-dione

Chemical Property of 1-Cyclohexyl-5-ethylbarbituric acid

Chemical Property:

• PSA: 66.48000
• Density: 1.187g/cm³
• LogP: 1.69040
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 238.13174244
• Heavy Atom Count: 17
• Complexity: 348

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Cyclohexyl-5-ethylbarbituric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(=O)NC(=O)N(C1=O)C2CCCCC2

Technology Process of 1-Cyclohexyl-5-ethylbarbituric acid

There total 2 articles about 1-Cyclohexyl-5-ethylbarbituric acid 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:

ethyl diethyl malonate (133-13-1) + N'-cyclohexylurea (698-90-8) → 1-cyclohexyl-5-ethyl-pyrimidine-2,4,6-trione (837-32-1)

Guidance literature:

Reference yield:

→ 1-cyclohexyl-5-ethyl-pyrimidine-2,4,6-trione (837-32-1)

Guidance literature:

Ethylmalonsaeuredichlorid, Cyclohexylharnstoff;

Reference yield: 88.0%

1-cyclohexyl-5-ethyl-pyrimidine-2,4,6-trione (837-32-1) → 5-Brom-1-cyclohexyl-5-ethyl-barbitursaeure (83128-61-4)

Guidance literature:

With bromine; In ethanol; at 40 ℃;

DOI:10.1002/ardp.19823150810

upstream raw materials:

ethyl diethyl malonate

N'-cyclohexylurea

Downstream raw materials:

1-cyclohexyl-5-ethyl-5-morpholin-4-ylmethyl-pyrimidine-2,4,6-trione

1-cyclohexyl-5-ethyl-3,5-bis-morpholin-4-ylmethyl-pyrimidine-2,4,6-trione

5-Brom-1-cyclohexyl-5-ethyl-barbitursaeure

5-amino-1-cyclohexyl-5-ethylbarbituric acid

Refernces