4-Methyl-1-(2-thienyl)-1,3-pentanedione

Base Information

• Chemical Name: 4-Methyl-1-(2-thienyl)-1,3-pentanedione
• CAS No.: 30984-27-1
• Molecular Formula: C₁₀H₁₂O₂S
• Molecular Weight: 196.27
• NSC Number: 80390
• DSSTox Substance ID: DTXSID60292121
• Nikkaji Number: J1.407.781B
• Wikidata: Q82030303
• Mol file: 30984-27-1.mol

Synonyms:4-Methyl-1-(2-thienyl)-1,3-pentanedione;30984-27-1;4-methyl-1-(thiophen-2-yl)pentane-1,3-dione;NSC80390;DTXSID60292121;XRTHXGCCCJCFGT-UHFFFAOYSA-N;NSC-80390;AKOS012623921;EN300-1125071

Chemical Property of 4-Methyl-1-(2-thienyl)-1,3-pentanedione

Chemical Property:

• Vapor Pressure: 0.00057mmHg at 25°C
• Boiling Point: 311.2°C at 760 mmHg
• Flash Point: 142°C
• Density: 1.128g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 196.05580079
• Heavy Atom Count: 13
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)CC(=O)C1=CC=CS1

Technology Process of 4-Methyl-1-(2-thienyl)-1,3-pentanedione

There total 1 articles about 4-Methyl-1-(2-thienyl)-1,3-pentanedione 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-Acetylthiophene (88-15-3,97511-16-5) + Ethyl isobutyrate (97-62-1) → 4-methyl-1-thiophen-2-yl-pentane-1,3-dione (30984-27-1)

Guidance literature:

With diethyl ether; sodium amide;

DOI:10.1021/ja01190a042 DOI:10.1021/ja01167a120

upstream raw materials:

2-Acetylthiophene

Ethyl isobutyrate