Methyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

Base Information

• Chemical Name: Methyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
• CAS No.: 90101-87-4
• Molecular Formula: C18H14O4
• Molecular Weight: 294.307
• Hs Code.: 2932996560
• UNII: U4BD438QB2
• Nikkaji Number: J107.339G
• Mol file: 90101-87-4.mol

Synonyms:90101-87-4;methyl 3-methylflavone-8-carboxylate;O-Desethylpiperidine Flavoxate Methyl Ester;methyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;U4BD438QB2;UNII-U4BD438QB2;3-Methylflavone-8-carboxylic acid methyl ester;4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, methyl ester;4h-1-benzopyran-8-carboxylic acid,3-methyl-4-oxo-2-phenyl-,methyl ester;Flavoxate Related Compound B (20 mg) (3-Methylflavone-8-carboxylic acid methyl ester);SCHEMBL10710173;AKOS033471697;Z16190836;3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid methyl ester

Chemical Property of Methyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

Chemical Property:

• Melting Point: 170-173°C
• Boiling Point: 467.0±45.0 °C(Predicted)
• PSA: 56.51000
• Density: 1.251±0.06 g/cm3(Predicted)
• LogP: 3.55500
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Heated)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 294.08920892
• Heavy Atom Count: 22
• Complexity: 487

Purity/Quality:

98% ^*data from raw suppliers

O-DesethylpiperidineFlavoxateMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC)C3=CC=CC=C3
• Uses: O-Desethylpiperidine Flavoxate is an impurity in the synthesis of Flavoxate (F373500), a smooth muscle relaxant. Used as antispasmodic; in treatment of urinary incontinence.

Technology Process of Methyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

There total 1 articles about Methyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate 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:

→ Methyl 3-methylflavone-8-carboxylate (90101-87-4)

Guidance literature:

Reference yield: 32.0%

N-methylmaleimide (930-88-1) + Methyl 3-methylflavone-8-carboxylate (90101-87-4) → methyl 3-methyl-5-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-2-phenyl-4H-chromene-8-carboxylate

Guidance literature:

With silver hexafluoroantimonate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; Trimethylacetic acid; In 1,2-dichloro-ethane; at 80 ℃; for 20h; Sealed tube;

DOI:10.1021/acs.joc.6b02577

Reference yield:

0.5N-KOH + Methyl 3-methylflavone-8-carboxylate (90101-87-4) → 3-methylflavone-8-carboxylic acid (3468-01-7)

Guidance literature:

In methanol; water;

Downstream raw materials:

3-methylflavone-8-carboxylic acid

flavoxate hydrochloride

Refernces

• 1、 -. "Methylflavone-8-carboxylates". . . Retrieved 2008/06/13.