CID 53731859

Base Information

• Chemical Name: CID 53731859
• CAS No.: 61439-80-3
• Molecular Formula: C₁₃H₁₆O₂
• Molecular Weight: 204.269
• DSSTox Substance ID: DTXSID50706267
• Mol file: 61439-80-3.mol

Synonyms:DTXSID50706267;D86931

Chemical Property of CID 53731859

Chemical Property:

• PSA: 26.30000
• LogP: 2.73850
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

methyl3-methyl-5-phenylpent-2-enoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC(=O)OC)CCC1=CC=CC=C1

Technology Process of CID 53731859

There total 1 articles about CID 53731859 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:

Methyl diethylphosphonoacetate (1067-74-9) + 4-Phenyl-2-butanone (2550-26-7) → 3-Methyl-5-phenyl-pent-2-ensaeuremethylester (61439-80-3)

Guidance literature:

Multistep reaction; (i) NaOMe, MeOH, (ii) /BRN= 1907123/;

upstream raw materials:

Methyl diethylphosphonoacetate

4-Phenyl-2-butanone