5-Allyl-5-crotylbarbituric acid

Base Information

• Chemical Name: 5-Allyl-5-crotylbarbituric acid
• CAS No.: 2288-78-0
• Molecular Formula: C11H14 N2 O3
• Molecular Weight: 222.2405
• NSC Number: 125749
• DSSTox Substance ID: DTXSID70419145
• Nikkaji Number: J2.506.374K,J2.478.864D
• Wikidata: Q82230032
• Mol file: 2288-78-0.mol

Synonyms:Go 1057;5-Allyl-5-crotylbarbitursaeure;NIOSH/CQ1462500;5-Allyl-5-crotylbarbituric acid;5-Allyl-5-crotylbarbitursaeure [German];CQ14625000;5-(2-Butenyl)-5-(2-propenyl)barbituric acid;Barbituric acid, 5-(2-butenyl)-5-(2-propenyl)-;2288-78-0;SCHEMBL2048014;SCHEMBL2048015;DTXSID70419145;JDPPIXRBPVYZLS-HWKANZROSA-N;NSC125749;NSC-125749;5-allyl-5-((2E)-2-butenyl)barbituric acid;5-Allyl-5-(2-butenyl)pyrimidine-2,4,6(1H,3H,5H)-trione;5-Allyl-5-[(E)-2-butenyl]pyrimidine-2,4,6(1H,3H,5H)-trione

Chemical Property of 5-Allyl-5-crotylbarbituric acid

Chemical Property:

• Density: 1.112g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 222.10044231
• Heavy Atom Count: 16
• Complexity: 351

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CCC1(C(=O)NC(=O)NC1=O)CC=C
• Isomeric SMILES: C/C=C/CC1(C(=O)NC(=O)NC1=O)CC=C

Technology Process of 5-Allyl-5-crotylbarbituric acid

There total 2 articles about 5-Allyl-5-crotylbarbituric 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:

urea (57-13-6) → 5-allyl-5-but-2-enyl-barbituric acid (2288-78-0)

Guidance literature:

With sodium ethanolate; 5-allyl-5-crotyl-barbituric acid;

Reference yield:

(E/Z)-crotyl bromide (4784-77-4,29576-14-5,39616-19-8) + 5-allyl-pyrimidine-2,4,6-trione (2565-43-7) → 5-allyl-5-but-2-enyl-barbituric acid (2288-78-0)

Guidance literature:

With sodium hydroxide; 5-allyl-5-crotyl-barbituric acid;

upstream raw materials:

(E/Z)-crotyl bromide

5-allyl-pyrimidine-2,4,6-trione

urea