3,4-dimethyl-7-(2-oxopropoxy)-2H-chromen-2-one

Base Information

• Chemical Name: 3,4-dimethyl-7-(2-oxopropoxy)-2H-chromen-2-one
• CAS No.: 156006-10-9
• Molecular Formula: C₁₄H₁₄O₄
• Molecular Weight: 246.263
• DSSTox Substance ID: DTXSID60358039
• Wikidata: Q82138305
• Pharos Ligand ID: PBMUXSNJWLFW
• ChEMBL ID: CHEMBL1409167
• Mol file: 156006-10-9.mol

Synonyms:3,4-dimethyl-7-(2-oxopropoxy)-2H-chromen-2-one;156006-10-9;3,4-dimethyl-7-(2-oxopropoxy)chromen-2-one;HMS2309L19;SMR000141252;CBMicro_001831;MLS000533814;CHEMBL1409167;DTXSID60358039;SMSF0015355;MFCD01880897;STK829216;AKOS005613784;CB03280;BS-35733;BIM-0001838.P001;CS-0320880;SR-01000229343;SR-01000229343-1

Chemical Property of 3,4-dimethyl-7-(2-oxopropoxy)-2H-chromen-2-one

Chemical Property:

• Vapor Pressure: 5.25E-07mmHg at 25°C
• Boiling Point: 412.3°C at 760 mmHg
• Flash Point: 184.8°C
• Density: 1.188g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 246.08920892
• Heavy Atom Count: 18
• Complexity: 397

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C)C

Technology Process of 3,4-dimethyl-7-(2-oxopropoxy)-2H-chromen-2-one

There total 5 articles about 3,4-dimethyl-7-(2-oxopropoxy)-2H-chromen-2-one 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: 85.0%

3,4-dimethyl-7-hydroxycoumarin (2107-78-0) + chloroacetone (78-95-5) → 7-acetonyloxy-3,4-dimethylcoumarin (156006-10-9)

Guidance literature:

With potassium carbonate; In acetone; for 18h; Heating;

Reference yield:

2-acetylpropanoic acid ethyl ester (609-14-3) → 7-acetonyloxy-3,4-dimethylcoumarin (156006-10-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 36 percent / conc. H₂SO₄ / 10 h / Ambient temperature

2: 85 percent / K₂CO₃ / acetone / 18 h / Heating

With sulfuric acid; potassium carbonate; In acetone;

Reference yield:

recorcinol (108-46-3) → 7-acetonyloxy-3,4-dimethylcoumarin (156006-10-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 36 percent / conc. H₂SO₄ / 10 h / Ambient temperature

2: 85 percent / K₂CO₃ / acetone / 18 h / Heating

With sulfuric acid; potassium carbonate; In acetone;

upstream raw materials:

3,4-dimethyl-7-hydroxycoumarin

chloroacetone

2-acetylpropanoic acid ethyl ester

recorcinol