6-Methylchromone-2-carboxylic acid

Base Information

• Chemical Name: 6-Methylchromone-2-carboxylic acid
• CAS No.: 5006-44-0
• Molecular Formula: C11H8O4
• Molecular Weight: 204.18
• Hs Code.: 29329990
• European Community (EC) Number: 622-748-2
• Nikkaji Number: J3.327.538B
• Metabolomics Workbench ID: 73935
• Mol file: 5006-44-0.mol

Synonyms:6-Methylchromone-2-carboxylic acid;5006-44-0;6-methyl-4-oxo-4H-chromene-2-carboxylic acid;6-methyl-4-oxochromene-2-carboxylic acid;MFCD00239435;6-METHYL-4-OXO-4H-1-BENZOPYRAN-2-CARBOXYLIC ACID;Maybridge3_003393;4h-1-benzopyran-2-carboxylic acid, 6-methyl-4-oxo-;Oprea1_814757;SCHEMBL379054;HMS1440K05;STR04891;STK891480;AKOS000295930;CCG-250404;MB01075;IDI1_014780;6-Methylchromone-2-carboxylic acid, 98%;BB 0255132;CS-0204687;FT-0635511;M2725;T72526;A827953;Z57066685

Chemical Property of 6-Methylchromone-2-carboxylic acid

Chemical Property:

• Appearance/Colour: Almost white crystalline powder
• Vapor Pressure: 4.89E-06mmHg at 25°C
• Melting Point: 267-270 °C(lit.)
• Boiling Point: 367.2 °C at 760 mmHg
• PKA: 2.40±0.20(Predicted)
• Flash Point: 148.4 °C
• PSA: 67.51000
• Density: 1.421 g/cm³
• LogP: 1.79960
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 204.04225873
• Heavy Atom Count: 15
• Complexity: 332

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Methylchromone-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O

Technology Process of 6-Methylchromone-2-carboxylic acid

There total 9 articles about 6-Methylchromone-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: 64.0%

5-methyl-2-hydroxyacetophenone (1450-72-2) + oxalic acid diethyl ester (95-92-1) → 6-Methyl-4-oxo-4H-1-benzopyran-2-carboxylic acid (5006-44-0)

Guidance literature:

5-methyl-2-hydroxyacetophenone; oxalic acid diethyl ester; With sodium methylate; In 1,4-dioxane; methanol; at 120 ℃; for 0.333333h; Microwave irradiation;

With hydrogenchloride; In 1,4-dioxane; methanol; at 120 ℃; for 0.666667h; Microwave irradiation;

DOI:10.3390/molecules24234214

Reference yield:

Ethyl 6-methyl-4-oxo-4H-1-benzopyran-2-carboxylate (38322-65-5) → 6-Methyl-4-oxo-4H-1-benzopyran-2-carboxylic acid (5006-44-0)

Guidance literature:

With hydrogenchloride; water; acetic acid; at 85 ℃; for 18h;

Reference yield:

6-methyl-4-oxo-4H-chromen-2-carbaldehyde (99851-63-5) → 6-Methyl-4-oxo-4H-1-benzopyran-2-carboxylic acid (5006-44-0)

Guidance literature:

With jones reagent; In acetone;

upstream raw materials:

6-methylchromone-2-carbonitrile

6-methyl-4-oxo-4H-chromen-2-carbaldehyde

6-Methyl-4-oxo-4H-1-benzopyran-2-carboxaldehyde oxime

C₁₉H₁₈N₂O₃

Downstream raw materials:

5-(2-hydroxy-5-methylphenyl)-3-isoxazolecarboxylic acid

6-Methyl-4-oxo-4H-1-benzopyran-2-carboxamide

6-methylflavone

6-methyl-2-(p-tolyl)-4H-chromen-4-one

Refernces

• 1、 -. "SUBSTITUTED CYCLOLAKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY". Page/Page column 255; 305. . Retrieved 2020/11/12.
• 2、 -. "Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof". Page/Page column 57. . Retrieved 2008/06/13.