5-(1,3-Dimethyl-1-butenyl)-5-ethylbarbituric acid

Base Information

• Chemical Name: 5-(1,3-Dimethyl-1-butenyl)-5-ethylbarbituric acid
• CAS No.: 72961-79-6
• Molecular Formula: C₁₂H₁₈N₂O₃
• Molecular Weight: 238.287
• NSC Number: 125788
• UNII: 8FC88H8EM4
• Wikidata: Q76306002
• Mol file: 72961-79-6.mol

Synonyms:1,3M1TB;5-ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid;5-ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid, (E)-isomer;trans-5-ethyl-5-(1',3'-dimethyl-but-1'-enyl)barbituric acid

Chemical Property of 5-(1,3-Dimethyl-1-butenyl)-5-ethylbarbituric acid

Chemical Property:

• Melting Point: 188-188.5 °C
• PKA: 7.72±0.10(Predicted)
• PSA: 75.27000
• Density: 1.093g/cm³
• LogP: 2.00870
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 238.13174244
• Heavy Atom Count: 17
• Complexity: 377

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C(=O)NC(=O)NC1=O)C(=CC(C)C)C
• Isomeric SMILES: CCC1(C(=O)NC(=O)NC1=O)/C(=C/C(C)C)/C

Technology Process of 5-(1,3-Dimethyl-1-butenyl)-5-ethylbarbituric acid

There total 1 articles about 5-(1,3-Dimethyl-1-butenyl)-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:

→ 5-ethyl-5-(trans-1',3'-dimethylbut-1'-enyl)barbituric acid (75016-39-6,72961-79-6)

Guidance literature:

With sodium ethanolate; urea; Erhitzen des Reaktionsprodukts mit wss. HCl;