7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid

Base Information

• Chemical Name: 7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid
• CAS No.: 40785-97-5
• Molecular Formula: C₂₇H₃₀O₉
• Molecular Weight: 498.53
• UNII: 8Q3M8GL2XV
• Nikkaji Number: J551.010D
• Wikidata: Q27163775
• ChEMBL ID: CHEMBL267475

Synonyms:7-((3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxyl))-4-oxo-8-propyl-4H-chromene-2-carboxy late, sodium salt;FPL 55712;FPL-55712

Chemical Property of 7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid

Chemical Property:

• Melting Point: 150-160?°C
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 498.18898253
• Heavy Atom Count: 36
• Complexity: 809

Purity/Quality:

≥97% by HPLC ^*data from raw suppliers

FPL 55712 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)CCC)O
• Uses: FPL 55712 is a leukotriene antagonist.

Technology Process of 7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid

There total 2 articles about 7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic 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:

3-(2-n-Propyl-3-hydroxy-4-acetylphenoxy)-1,2-epoxypropane (57161-85-0) + 7-hydroxy-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid ethyl ester (42368-92-3) → 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid (40785-97-5)

Guidance literature:

With sodium hydroxide; N-benzyl-trimethylammonium hydroxide; sodium hydrogencarbonate; In methanol; ethanol; water; ethyl acetate; N,N-dimethyl-formamide;

Reference yield:

→ 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid (40785-97-5)

Guidance literature:

/BRN= 434263/ (53), /BRN= 432767/ (81) 1) Triton B, DMF; 2) Verseifung des Ethylesters mit NaHCO3;

DOI:10.1021/jm00213a012

Reference yield:

7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid (40785-97-5) + N,N-bis(hydroxymethyl)ethanolamine (73391-91-0) → 7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid tris (hydroxymethyl) methylamine salt monohydrate

Guidance literature:

In ethanol; water;

upstream raw materials:

3-(2-n-Propyl-3-hydroxy-4-acetylphenoxy)-1,2-epoxypropane

7-hydroxy-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid ethyl ester

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