Barbituric acid, 1-allyl-5,5-diethyl-

Base Information

• Chemical Name: Barbituric acid, 1-allyl-5,5-diethyl-
• CAS No.: 7548-63-2
• Molecular Formula: C₁₁H₁₆N₂O₃
• Molecular Weight: 224.26
• Hs Code.: 2933540000
• DSSTox Substance ID: DTXSID10226416
• Nikkaji Number: J84.832H
• Wikidata: Q83105835
• Mol file: 7548-63-2.mol

Synonyms:N-Allylbarbital;1-Allyl-5,5-diethylbarbituric acid;7548-63-2;BARBITURIC ACID, 1-ALLYL-5,5-DIETHYL-;BRN 0202048;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-(2-propenyl)-;N-Allyl barbital;DTXSID10226416;IGIRIITWQIFRAW-UHFFFAOYSA-N;LS-23711;1-Allyl-5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione;1-Allyl-5,5-diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione #

Chemical Property of Barbituric acid, 1-allyl-5,5-diethyl-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 69.97000
• Density: 1.089g/cm³
• LogP: 1.27100
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 224.11609238
• Heavy Atom Count: 16
• Complexity: 345

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C(=O)NC(=O)N(C1=O)CC=C)CC

Technology Process of Barbituric acid, 1-allyl-5,5-diethyl-

There total 7 articles about Barbituric acid, 1-allyl-5,5-diethyl- 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:

diethylbarbituric acid (57-44-3) + allyl bromide (106-95-6) → N-Allyl-barbital (7548-63-2)

Guidance literature:

With sodium hydroxide;

Reference yield:

allylurea (557-11-9) → N-Allyl-barbital (7548-63-2)

Guidance literature:

With ethanol; sodium ethanolate;

Reference yield:

allylurea (557-11-9) + diethylmalonyl chloride (54505-72-5) → N-Allyl-barbital (7548-63-2)

Guidance literature:

at 100 - 120 ℃;

upstream raw materials:

diethylbarbituric acid

allyl bromide

3-chloroprop-1-ene

allylurea