4-Methylumbelliferyl palmitate

Base Information

• Chemical Name: 4-Methylumbelliferyl palmitate
• CAS No.: 17695-48-6
• Molecular Formula: C26H38 O4
• Molecular Weight: 414.585
• Hs Code.: 29322985
• European Community (EC) Number: 241-695-2
• DSSTox Substance ID: DTXSID30170225
• Nikkaji Number: J287.125D
• Wikidata: Q83040121
• Mol file: 17695-48-6.mol

Synonyms:4-methylumbelliferyl palmitate

Chemical Property of 4-Methylumbelliferyl palmitate

Chemical Property:

• Vapor Pressure: 1.57E-11mmHg at 25°C
• Melting Point: 77 °C(lit.)
• Refractive Index: 1.4840 (estimate)
• Boiling Point: 535.2°Cat760mmHg
• Flash Point: 261.8°C
• PSA: 56.51000
• Density: 1.026g/cm³
• LogP: 7.48810
• Storage Temp.: −20°C
• Solubility.: DMSO (Sparingly, Heated), Methanol (Sparingly, Heated)
• XLogP3: 9.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 414.27700969
• Heavy Atom Count: 30
• Complexity: 539

Purity/Quality:

97% ^*data from raw suppliers

4-Methylumbelliferyl Palmitate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C
• Uses: (4-Methylumbelliferyl palmitate) Fatty acyl esters of 4-methylumbelliferone for use as fluorogenic substrates to continuously follow the hydrolytic activity of carboxylesterases, such as acid and alkaline lipases.

Technology Process of 4-Methylumbelliferyl palmitate

There total 4 articles about 4-Methylumbelliferyl palmitate 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: 98.0%

7-hydroxy-4-methyl-chromen-2-one (90-33-5,79566-13-5) + 1-hexadecylcarboxylic acid (57-10-3) → 7-(pentadecanylcarbonyl)oxy-4-methyl-2H-1-benzopyran-2-one (17695-48-6)

Guidance literature:

With Novozyme 435; In 1,4-dioxane; at 20 ℃; for 2h; Enzymatic reaction;

Reference yield: 95.0%

7-hydroxy-4-methyl-chromen-2-one (90-33-5,79566-13-5) + n-hexadecanoyl chloride (112-67-4) → 7-(pentadecanylcarbonyl)oxy-4-methyl-2H-1-benzopyran-2-one (17695-48-6)

Guidance literature:

With sulfuric acid; for 7h; Reflux;

DOI:10.2174/1570180815666180327124634

Reference yield:

recorcinol (108-46-3) → 7-(pentadecanylcarbonyl)oxy-4-methyl-2H-1-benzopyran-2-one (17695-48-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / 10 °C

2: Novozyme 435 / 1,4-dioxane / 2 h / 20 °C / Enzymatic reaction

With sulfuric acid; In 1,4-dioxane; 1: Pechmann condensation;

upstream raw materials:

7-hydroxy-4-methyl-chromen-2-one

n-hexadecanoyl chloride

1-hexadecylcarboxylic acid

recorcinol

Downstream raw materials:

7-hydroxy-4-methyl-chromen-2-one

1-hexadecylcarboxylic acid

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