1,3,5-Trimethylbarbituric acid

Base Information

• Chemical Name: 1,3,5-Trimethylbarbituric acid
• CAS No.: 7358-61-4
• Molecular Formula: C7H10 N2 O3
• Molecular Weight: 170.168
• European Community (EC) Number: 230-892-9
• NSC Number: 120716
• DSSTox Substance ID: DTXSID80223775
• Nikkaji Number: J54.597J
• Wikidata: Q83102269
• Mol file: 7358-61-4.mol

Synonyms:7358-61-4;1,3,5-Trimethylbarbituric acid;Barbituric acid, 1,3,5-trimethyl-;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione;2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3,5-trimethyl-;EINECS 230-892-9;NSC 120716;BRN 0149485;1,3,5-Trimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione;NSC120716;SCHEMBL200674;Barbituric acid,3,5-trimethyl-;DTXSID80223775;AKOS006277908;NSC-120716;LS-24668;2,6(1H,3H,5H)-Pyrimidinetrione, 1,3,5-trimethyl-

Chemical Property of 1,3,5-Trimethylbarbituric acid

Chemical Property:

• Vapor Pressure: 0.0492mmHg at 25°C
• Boiling Point: 235.8°C at 760 mmHg
• Flash Point: 94.7°C
• PSA: 57.69000
• Density: 1.232g/cm³
• LogP: -0.45130
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 170.06914219
• Heavy Atom Count: 12
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

1,3,5-TRIMETHYLBARBITURIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)N(C(=O)N(C1=O)C)C

Technology Process of 1,3,5-Trimethylbarbituric acid

There total 21 articles about 1,3,5-Trimethylbarbituric 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: 93.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,3-dimethylbarbituric acid (769-42-6) → 1,3,5-trimethylbarbituric acid (7358-61-4)

Guidance literature:

With sulfuric acid; hydrogen; platinum on activated charcoal; In acetic acid; for 20h; under 2585.74 Torr;

DOI:10.1016/S0040-4039(01)00621-9

Reference yield: 92.0%

methanol (67-56-1) + 1,3-dimethylbarbituric acid (769-42-6) → 1,3,5-trimethylbarbituric acid (7358-61-4)

Guidance literature:

With C₉H₁₄B₁₀ClFeNS; In toluene; at 20 ℃; for 1.66667h;

Reference yield: 91.0%

1,3-dimethyl-2,4,6-trioxohexahydropyrimidine-5-carbaldehyde (42604-63-7) → 1,3,5-trimethylbarbituric acid (7358-61-4)

Guidance literature:

With hydrogenchloride; zinc; In water; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4039(03)00111-4

upstream raw materials:

6-amino-1,3,5-trimethyluracil

N,N'-Dimethylurea

methyl-propanedioic acid

Diethyl methylmalonate

Refernces

• 1、 -. "Method for preparing barbituric acid hydrocarbylation derivative by using ferrous complex". Paragraph 0027; 0033-0036. . Retrieved 2021/07/17.
• 2、 Temprado, Manuel,Roux, Maria Victoria,Ros, Francisco,Notario, Rafael,Segura, Marta,Chickos, James S.. "Thermophysical study of several barbituric acid derivatives by differential scanning calorimetry (DSC)". experimental part. p. 263 - 268. Retrieved 2011/10/05.