5-(2-Bromoallyl)-5-(2-cyclopentenyl)-2-thiobarbituric acid

Base Information

• Chemical Name: 5-(2-Bromoallyl)-5-(2-cyclopentenyl)-2-thiobarbituric acid
• CAS No.: 66942-10-7
• Molecular Formula: C12H13BrN2O2S
• Molecular Weight: 329.2128
• DSSTox Substance ID: DTXSID20985683
• Nikkaji Number: J93.495J
• Mol file: 66942-10-7.mol

Synonyms:BRN 0268458;66942-10-7;5-(2-Bromoallyl)-5-(2-cyclopentenyl)-2-thiobarbituric acid;BARBITURIC ACID, 5-(2-BROMOALLYL)-5-(2-CYCLOPENTENYL)-2-THIO-;C12H13BrN2O2S;DTXSID20985683;C12-H13-Br-N2-O2-S;LS-23858;5-(2-Bromoprop-2-en-1-yl)-5-(cyclopent-2-en-1-yl)-4,6-dihydroxypyrimidine-2(5H)-thione;4,6(1H,5H)-Pyrimidinedione, 5-(2-bromo-2-propenyl)-5-(2-cyclopenten-1-yl)dihydro-2-thioxo-;5-(2-Bromo-2-propenyl)-5-(2-cyclopentenyl)-2,3-dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione

Chemical Property of 5-(2-Bromoallyl)-5-(2-cyclopentenyl)-2-thiobarbituric acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 97.27000
• Density: 1.59g/cm³
• LogP: 2.32040
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 327.98811
• Heavy Atom Count: 18
• Complexity: 453

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(CC1(C(=O)NC(=S)NC1=O)C2CCC=C2)Br

Technology Process of 5-(2-Bromoallyl)-5-(2-cyclopentenyl)-2-thiobarbituric acid

There total 1 articles about 5-(2-Bromoallyl)-5-(2-cyclopentenyl)-2-thiobarbituric 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:

2-bromoallyl bromide (513-31-5) → 5-(2-bromo-allyl)-5-cyclopent-2-enyl-2-thio-barbituric acid (66942-10-7)

Guidance literature:

With water;

DOI:10.1021/ja01251a017

upstream raw materials:

2-bromoallyl bromide