4-Methylumbelliferyl phosphate

Base Information

• Chemical Name: 4-Methylumbelliferyl phosphate
• CAS No.: 3368-04-5
• Molecular Formula: C10H9 O6 P
• Molecular Weight: 256.152
• Hs Code.: 29199000
• European Community (EC) Number: 222-137-7
• DSSTox Substance ID: DTXSID8062995
• Nikkaji Number: J205.449C
• Wikidata: Q27462016
• ChEMBL ID: CHEMBL255305
• Mol file: 3368-04-5.mol

Synonyms:4-methylumbelliferyl phosphate

Chemical Property of 4-Methylumbelliferyl phosphate

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 2.79E-11mmHg at 25°C
• Melting Point: 215-218 °C
• Boiling Point: 511.4°Cat760mmHg
• PKA: 1.65±0.10(Predicted)
• Flash Point: 263.1°C
• PSA: 106.78000
• Density: 1.583g/cm³
• LogP: 1.57290
• Storage Temp.: 2-8°C
• Water Solubility.: Soluble in water
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 256.01367500
• Heavy Atom Count: 17
• Complexity: 398

Purity/Quality:

98%, ^*data from raw suppliers

4-Methylumbelliferyl Phosphate 99+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/22
• Safety Statements: 36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)(O)O

Technology Process of 4-Methylumbelliferyl phosphate

There total 4 articles about 4-Methylumbelliferyl phosphate 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:

dibenzyl 4-methyl-2-oxo-2H-chromen-7-yl phosphate (1352006-36-0) → 4-methylumbeiliferyl phosphate (3368-04-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 10h; Inert atmosphere;

DOI:10.1002/jhet.675

Reference yield:

7-hydroxy-4-methyl-chromen-2-one (90-33-5,79566-13-5) → 4-methylumbeiliferyl phosphate (3368-04-5)

Guidance literature:

Multi-step reaction with 2 steps

1: dmap; N-ethyl-N,N-diisopropylamine / tetrachloromethane; acetonitrile / 10 h / -10 °C / Inert atmosphere

2: palladium 10% on activated carbon; hydrogen / methanol / 10 h / 20 °C / Inert atmosphere

With dmap; palladium 10% on activated carbon; hydrogen; N-ethyl-N,N-diisopropylamine; In methanol; tetrachloromethane; acetonitrile;

DOI:10.1002/jhet.675

Reference yield:

recorcinol (108-46-3) → 4-methylumbeiliferyl phosphate (3368-04-5)

Guidance literature:

Multi-step reaction with 3 steps

1: toluene-4-sulfonic acid / toluene / 0.33 h / Reflux

2: dmap; N-ethyl-N,N-diisopropylamine / tetrachloromethane; acetonitrile / 10 h / -10 °C / Inert atmosphere

3: palladium 10% on activated carbon; hydrogen / methanol / 10 h / 20 °C / Inert atmosphere

With dmap; palladium 10% on activated carbon; hydrogen; toluene-4-sulfonic acid; N-ethyl-N,N-diisopropylamine; In methanol; tetrachloromethane; toluene; acetonitrile; 1: Pechmann condensation;

DOI:10.1002/jhet.675

upstream raw materials:

dibenzyl 4-methyl-2-oxo-2H-chromen-7-yl phosphate

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

recorcinol

Downstream raw materials:

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