5-Athyl-5-crotylbarbitursaure

Base Information

• Chemical Name: 5-Athyl-5-crotylbarbitursaure
• CAS No.: 1952-67-6
• Molecular Formula: C₁₀H₁₄N₂O₃
• Molecular Weight: 210.233
• DSSTox Substance ID: DTXSID90905095
• Mol file: 1952-67-6.mol

Synonyms:calypnon;krotylbarbital;5-Athyl-5-crotylbarbitursaure;DTXSID90905095;LS-23878

Chemical Property of 5-Athyl-5-crotylbarbitursaure

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 75.27000
• Density: 1.116g/cm³
• LogP: 1.37260
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 210.10044231
• Heavy Atom Count: 15
• Complexity: 314

Purity/Quality:

98%,99%, ^*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)CC=CC

Technology Process of 5-Athyl-5-crotylbarbitursaure

There total 4 articles about 5-Athyl-5-crotylbarbitursaure 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:

(E/Z)-crotyl bromide (4784-77-4,29576-14-5,39616-19-8) + 5-ethyl barbituric acid (2518-72-1) → 5-but-2-enyl-5-ethyl-pyrimidine-2,4,6-trione (1952-67-6,28360-88-5,28360-89-6) + 5-ethyl-5-(trans-but-2'-enyl)barbituric acid (28360-89-6)

Guidance literature:

With sodium hydroxide;

Reference yield:

ethyl-but-2-enyl-malonic acid diethyl ester (101171-16-8) → 5-but-2-enyl-5-ethyl-pyrimidine-2,4,6-trione (1952-67-6,28360-88-5,28360-89-6) + 5-ethyl-5-(trans-but-2'-enyl)barbituric acid (28360-89-6)

Guidance literature:

With sodium ethanolate; urea;

Reference yield:

Diethyl ethylsodiomalonate (18995-13-6) → 5-but-2-enyl-5-ethyl-pyrimidine-2,4,6-trione (1952-67-6,28360-88-5,28360-89-6) + 5-ethyl-5-(trans-but-2'-enyl)barbituric acid (28360-89-6)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: sodium ethanolate; urea

With ethanol; sodium ethanolate; urea;

upstream raw materials:

(E/Z)-crotyl bromide

5-ethyl barbituric acid

ethyl-but-2-enyl-malonic acid diethyl ester

Diethyl ethylsodiomalonate