4-Methylumbelliferyl heptanoate

Base Information

• Chemical Name: 4-Methylumbelliferyl heptanoate
• CAS No.: 18319-92-1
• Molecular Formula: C17H20 O4
• Molecular Weight: 288.343
• Hs Code.: 29321900
• European Community (EC) Number: 242-207-0
• DSSTox Substance ID: DTXSID1066362
• Nikkaji Number: J266.120I
• Wikidata: Q81992962
• Mol file: 18319-92-1.mol

Synonyms:4-methylumbelliferone heptanoate;4-methylumbelliferyl heptanoate;4-MUH

Chemical Property of 4-Methylumbelliferyl heptanoate

Chemical Property:

• Vapor Pressure: 1.45E-07mmHg at 25°C
• Melting Point: 41-42 °C(lit.)
• Boiling Point: 429°Cat760mmHg
• Flash Point: 214.5°C
• PSA: 56.51000
• Density: 1.129g/cm³
• LogP: 3.97720
• Storage Temp.: −20°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 288.13615911
• Heavy Atom Count: 21
• Complexity: 413

Purity/Quality:

99% ^*data from raw suppliers

4-Methylumbelliferyl heptanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C
• Uses: 4-Methylumbelliferyl Heptanoate can be used as a biological indicator of sterilization. Fluorogenic substrate for lipases.

Technology Process of 4-Methylumbelliferyl heptanoate

There total 2 articles about 4-Methylumbelliferyl heptanoate 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: 95.0%

sodium 4-methylumbelliferonate (5980-33-6) + Heptanoic acid chloride (2528-61-2) → 4-Methylumbelliferyl heptanoate (18319-92-1) + pentadecane (629-62-9)

Guidance literature:

In dichloromethane; acetone;

Reference yield:

7-hydroxy-4-methyl-chromen-2-one (90-33-5,79566-13-5) + Heptanoic acid chloride (2528-61-2) → 4-Methylumbelliferyl heptanoate (18319-92-1)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1021/jm901570x

Reference yield:

4-Methylumbelliferyl heptanoate (18319-92-1) → 7-hydroxy-4-methyl-chromen-2-one (90-33-5,79566-13-5) + oenanthic acid (111-14-8)

Guidance literature:

With lipase from Pseudomonas fluorescens; dimethyl sulfoxide; In water; pH=7.0; Further Variations:; Reagents; Enzyme kinetics;

DOI:10.1271/bbb.65.2078

upstream raw materials:

sodium 4-methylumbelliferonate

Heptanoic acid chloride

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

Downstream raw materials:

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

oenanthic acid

Refernces

• 1、 -. "Method for the immediate identification of salmonella cultures". . . Retrieved 2008/06/13.