2-[(2-Oxo-2H-chromen-7-YL)oxy]propanoic acid

Base Information

• Chemical Name: 2-[(2-Oxo-2H-chromen-7-YL)oxy]propanoic acid
• CAS No.: 304889-93-8
• Molecular Formula: C₁₂H₁₀O₅
• Molecular Weight: 234.208
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID30391357
• Mol file: 304889-93-8.mol

Synonyms:304889-93-8;2-[(2-OXO-2H-CHROMEN-7-YL)OXY]PROPANOIC ACID;2-((2-Oxo-2H-chromen-7-yl)oxy)propanoic acid;2-(2-oxochromen-7-yl)oxypropanoic acid;2-(2-OXO-2H-CHROMEN-7-YLOXY)-PROPIONIC ACID;2-(2-oxo-2H-chromen-7-yloxy)propanoic acid;MFCD01462958;IFLab1_001688;Oprea1_719952;DTXSID30391357;propanoic acid, 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-;HMS1416M16;HMS3468J12;STL457137;AKOS001064954;AKOS016376895;LS-04907;FT-0660653;EN300-186391;F81416;SR-01000219278;J-505687;SR-01000219278-1;2-[(2-Oxo-2H-1-benzopyran-7-yl)oxy]propanoic acid;Z56887160

Chemical Property of 2-[(2-Oxo-2H-chromen-7-YL)oxy]propanoic acid

Chemical Property:

• Vapor Pressure: 4.61E-09mmHg at 25°C
• Boiling Point: 454.8ºC at 760 mmHg
• PKA: 3.10±0.10(Predicted)
• Flash Point: 181.4ºC
• PSA: 76.74000
• Density: 1.384g/cm3
• LogP: 1.64490
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 234.05282342
• Heavy Atom Count: 17
• Complexity: 349

Purity/Quality:

97% ^*data from raw suppliers

2-[(2-Oxo-2H-chromen-7-yl)oxy]propanoic acid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)OC1=CC2=C(C=C1)C=CC(=O)O2

Technology Process of 2-[(2-Oxo-2H-chromen-7-YL)oxy]propanoic acid

There total 2 articles about 2-[(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: 100.0%

ethyl 2-[(2-oxo-2H-chromen-7-yl)oxy]propanoate (314262-30-1) → 2-[(2-oxo-2H-chromen-7-yl)oxy]propanoic acid (304889-93-8)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 2h; Heating;

DOI:10.1016/S0040-4020(02)00442-8

Reference yield:

7-hydroxy-2H-chromen-2-one (93-35-6) → 2-[(2-oxo-2H-chromen-7-yl)oxy]propanoic acid (304889-93-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / potassium carbonate / acetone / 5 h / Heating

2: 100 percent / sodium hydroxide / ethanol; H₂O / 2 h / Heating

With sodium hydroxide; potassium carbonate; In ethanol; water; acetone;

DOI:10.1016/S0040-4020(02)00442-8

upstream raw materials:

ethyl 2-[(2-oxo-2H-chromen-7-yl)oxy]propanoate

7-hydroxy-2H-chromen-2-one