1,3-Dibutylpyrimidine-2,4,6(1H,3H,5H)-trione

Base Information

• Chemical Name: 1,3-Dibutylpyrimidine-2,4,6(1H,3H,5H)-trione
• CAS No.: 5770-40-1
• Molecular Formula: C12H20N2O3
• Molecular Weight: 240.302
• Hs Code.: 2933540000
• DSSTox Substance ID: DTXSID40453930
• Nikkaji Number: J2.636.836G
• Wikidata: Q82275227
• Mol file: 5770-40-1.mol

Synonyms:5770-40-1;1,3-Dibutylpyrimidine-2,4,6(1H,3H,5H)-trione;1,3-dibutyl-1,3-diazinane-2,4,6-trione;1,3-Dibutylpyrimidine-2,4,6-trione;1,3-dibutylbarbituric acid;SCHEMBL3420629;DTXSID40453930;PGGFJIYMMRZEKG-UHFFFAOYSA-N;AKOS015995021;1,3-Dibutyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Chemical Property of 1,3-Dibutylpyrimidine-2,4,6(1H,3H,5H)-trione

Chemical Property:

• Melting Point: 49-50 °C
• Boiling Point: 328.3±25.0 °C(Predicted)
• PKA: 6.24±0.40(Predicted)
• PSA: 57.69000
• Density: 1.096±0.06 g/cm3(Predicted)
• LogP: 1.64330
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 240.14739250
• Heavy Atom Count: 17
• Complexity: 287

Purity/Quality:

98%Min ^*data from raw suppliers

1,3-Dibutylpyrimidine-2,4,6(1H,3H,5H)-trione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C(=O)CC(=O)N(C1=O)CCCC

Technology Process of 1,3-Dibutylpyrimidine-2,4,6(1H,3H,5H)-trione

There total 6 articles about 1,3-Dibutylpyrimidine-2,4,6(1H,3H,5H)-trione 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: 93.0%

malonic acid (141-82-2) + N,N-di-n-butylurea (619-37-4) → 1,3-dibutyl-pyrimidine-2,4,6-trione (5770-40-1)

Guidance literature:

With acetic anhydride; In acetic acid; at 80 - 90 ℃; for 2.5h;

Reference yield: 91.0%

N,N'-di-n-butylurea (1792-17-2) + malonic acid (141-82-2) → 1,3-dibutyl-pyrimidine-2,4,6-trione (5770-40-1)

Guidance literature:

With acetic anhydride; acetic acid; at 25 - 90 ℃; for 17h;

DOI:10.1039/c3nj00683b

Reference yield: 27.0%

n-butyl isocyanide (111-36-4) + malonoyl dichloride (1663-67-8) → 1,3-dibutyl-pyrimidine-2,4,6-trione (5770-40-1)

Guidance literature:

N-butylamine; n-butyl isocyanide; In dichloromethane; for 2h;

malonoyl dichloride; In dichloromethane; for 2h; Heating / reflux;

upstream raw materials:

N,N'-di-n-butylurea

malonic acid

n-butyl isocyanide

malonoyl dichloride

Downstream raw materials:

5-Aminomethylen-1,3-dibutylbarbitursaeure

5-[4-(di(2-(cholesteryloxycarbonyl)ethyl)amino)benzylidene]-1,3-dibutylpyrimidine-2,4,6-trione

5-{1-{3,5-bis[(6-(3,3-dimethyl)butyrylamino)pyridin-2-yl]carbamoyl}phenyl-2,6-dimethylpyridin-4-ylidene}-1,3-dibutylpyrimidine-2,4,6-trione

1,3-dibutyl-5-(1,3-dithian-2-ylidene)pyrimidine-2,4,6(1H,3H,5H)-trione