Allo Maltol

Base Information

• Chemical Name: Allo Maltol
• CAS No.: 644-46-2
• Molecular Formula: C6H6O3
• Molecular Weight: 126.112
• Mol file: 644-46-2.mol

Synonyms:2-Methyl-5-hydroxy-(4H)-pyran-4-one;2-Methyl-5-hydroxy-1,4-pyrone;3-Hydroxy-6-methyl-4-pyrone;5-Hydroxy-2-methyl-4H-pyran-4-one;5-Hydroxy-2-methyl-g-pyrone;Allomaltol;Kojic acid, a-deoxy-;NSC 166902;a-Deoxykojic acid;

Chemical Property of Allo Maltol

Chemical Property:

• Vapor Pressure: 0.000318mmHg at 25°C
• Melting Point: 166 °C
• Refractive Index: 1.56
• Boiling Point: 285.5 °C at 760 mmHg
• PKA: 8.32±0.10(Predicted)
• Flash Point: 127.7 °C
• PSA: 50.44000
• Density: 1.348 g/cm³
• LogP: 0.65380
• Storage Temp.: Refrigerator
• Solubility.: Acetone (Slightly), DMSO (Sparingly), Methanol (Slightly)

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

AlloMaltol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Uses: The esters of 5-hydroxy-2-methyl-4H-pyran-4-one

Technology Process of Allo Maltol

There total 5 articles about Allo Maltol 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: 78.0%

chlorokojic acid (7559-81-1,54839-86-0) + acetone (67-64-1) → allomaltol (644-46-2) + 5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one (501-30-4,123712-78-7) + iodokojic acid (16065-34-2) + iodoacetone (3019-04-3)

Guidance literature:

With sodium iodide; at 45 ℃; for 24h;

DOI:10.1007/s007060070106

Reference yield:

5-hydroxy-4-methoxy-2-methylpyrylium trifluoromethanesulfonate (141972-04-5) + phenylacetylene (536-74-3) → allomaltol (644-46-2) + 2,7-dihydroxy-4-methyl-5-phenylcyclohepta-2,4,6-trien-1-one

Guidance literature:

5-hydroxy-4-methoxy-2-methylpyrylium trifluoromethanesulfonate; With Hydroxymethyl resin; N,N-diisopropylaniline; In dichloromethane; at 60 ℃; for 14h; Microwave irradiation;

phenylacetylene; at 100 ℃; for 4.5h; Microwave irradiation;

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.5h; Time;

DOI:10.1039/c6md00237d

Reference yield:

4-trifluoromethylphenylacetylene (705-31-7) + 5-hydroxy-4-methoxy-2-methylpyrylium trifluoromethanesulfonate (141972-04-5) → allomaltol (644-46-2) + DH-1-163

Guidance literature:

5-hydroxy-4-methoxy-2-methylpyrylium trifluoromethanesulfonate; With Hydroxymethyl resin; N,N-diisopropylaniline; In dichloromethane; at 60 ℃; for 14h; Microwave irradiation;

4-trifluoromethylphenylacetylene; at 100 ℃; for 4.5h; Microwave irradiation;

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1039/c6md00237d

upstream raw materials:

chlorokojic acid

sodium thiocyanide

acetone

1-cyclohexyl-2-propyn-1-one

Downstream raw materials:

5-methoxy-2-methyl-4H-pyran-4-one

2-(1-Hydroxyethyl)-3-hydroxy-6-methyl-pyran-4(1H)-one

2-Methoxymethyl-3-benzyloxy-6-methyl-pyran-4(1H)-one

Refernces

• 1、 Uher, Michal,Szymońska, Joanna,Korenova, Anna,Tomasik, Piotr. "Re-examination of nucleophilic substitution in chlorokojic acid". . p. 301 - 307. Retrieved 2007/10/03.