1-Cyclohexyl-5-methylbarbituric acid

Base Information

• Chemical Name: 1-Cyclohexyl-5-methylbarbituric acid
• CAS No.: 834-90-2
• Molecular Formula: C11H16N2O3
• Molecular Weight: 224.2563
• Hs Code.: 2933540000
• DSSTox Substance ID: DTXSID901003391
• Nikkaji Number: J54.739E
• Mol file: 834-90-2.mol

Synonyms:1-Cyclohexyl-5-methylbarbituric acid;834-90-2;BRN 0887044;2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-cyclohexyl-5-methyl-;BARBITURIC ACID, 1-CYCLOHEXYL-5-METHYL-;1-Cyclohexyl-5-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione;SCHEMBL1426317;DTXSID901003391;LS-24069;3-Cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4(3H,5H)-dione

Chemical Property of 1-Cyclohexyl-5-methylbarbituric acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 69.97000
• Density: 1.224g/cm³
• LogP: 1.24740
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 224.11609238
• Heavy Atom Count: 16
• Complexity: 334

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)NC(=O)N(C1=O)C2CCCCC2

Technology Process of 1-Cyclohexyl-5-methylbarbituric acid

There total 1 articles about 1-Cyclohexyl-5-methylbarbituric 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:

→ 1-cyclohexyl-5-methyl-pyrimidine-2,4,6-trione (834-90-2)

Guidance literature:

Methylmalonsaeurediethylester, Cyclohexylharnstoff;

Reference yield: 92.0%

1-cyclohexyl-5-methyl-pyrimidine-2,4,6-trione (834-90-2) → 5-Brom-1-cyclohexyl-5-methyl-barbitursaeure (83128-58-9)

Guidance literature:

With bromine; In ethanol; at 40 ℃;

DOI:10.1002/ardp.19823150810

Reference yield:

1-cyclohexyl-5-methyl-pyrimidine-2,4,6-trione (834-90-2) → (+)-1-Cyclohexyl-5-methyl-5-piperidino-barbitursaeure (83128-69-2,83128-70-5,83860-35-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / Br₂ / aq. ethanol / 40 °C

2: 28 percent / H₂O / 3 h / 40 °C

With bromine; In ethanol; water;

DOI:10.1002/ardp.19823150810

Downstream raw materials:

5-Brom-1-cyclohexyl-5-methyl-barbitursaeure

(+/-)-1-Cyclohexyl-5-methyl-5-dimethylamino-barbitursaeure

(+/-)-1-Cyclohexyl-5-methyl-5-pyrrolidino-barbitursaeure

(+)-1-Cyclohexyl-5-methyl-5-pyrrolidino-barbitursaeure