2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoic acid

Base Information

• Chemical Name: 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoic acid
• CAS No.: 96078-23-8
• Molecular Formula: C₁₃H₁₂O₅
• Molecular Weight: 248.235
• DSSTox Substance ID: DTXSID201193050
• ChEMBL ID: CHEMBL4059981
• Mol file: 96078-23-8.mol

Synonyms:96078-23-8;2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoic acid;2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanoic acid;CBDivE_015713;2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid;Oprea1_616597;CHEMBL4059981;DTXSID201193050;BBL028743;MFCD00532713;STK920969;AKOS000144884;AKOS016042949;VS-08944;CS-0313768;SR-01000404435;SR-01000404435-1;Z56759494;F0398-0069;2-[(4-Methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoic acid

Chemical Property of 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoic acid

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 248.06847348
• Heavy Atom Count: 18
• Complexity: 387

Purity/Quality:

2-((4-METHYL-2-OXO-2H-CHROMEN-7-YL)OXY)PROPANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoic acid

There total 4 articles about 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoic 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:

7-(1-Aethoxycarbonyl-aethoxy)-4-methyl-cumarin (98882-60-1) → 2-((2-oxo-2H-chromen-7-yl)oxy)propanoic acid (96078-23-8)

Guidance literature:

With water; sodium hydroxide; at 20 ℃;

DOI:10.3184/174751917X14859570937677

Reference yield:

7-hydroxy-4-methyl-chromen-2-one (90-33-5,79566-13-5) → 2-((2-oxo-2H-chromen-7-yl)oxy)propanoic acid (96078-23-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 0.33 h / 20 °C

1.2: 5 h / 90 °C

2.1: sodium hydroxide; water / 20 °C

With water; potassium carbonate; sodium hydroxide; In N,N-dimethyl-formamide;

DOI:10.3184/174751917X14859570937677

Reference yield:

recorcinol (108-46-3) → 2-((2-oxo-2H-chromen-7-yl)oxy)propanoic acid (96078-23-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulfuric acid

2.1: potassium carbonate / N,N-dimethyl-formamide / 0.33 h / 20 °C

2.2: 5 h / 90 °C

3.1: sodium hydroxide; water / 20 °C

With sulfuric acid; water; potassium carbonate; sodium hydroxide; In N,N-dimethyl-formamide;

DOI:10.3184/174751917X14859570937677

upstream raw materials:

7-(1-Aethoxycarbonyl-aethoxy)-4-methyl-cumarin

7-hydroxy-4-methyl-chromen-2-one

recorcinol