4-Methylumbelliferone sulfate

Base Information

• Chemical Name: 4-Methylumbelliferone sulfate
• CAS No.: 25892-63-1
• Molecular Formula: C10H8 O6 S
• Molecular Weight: 256.236
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID60864564
• Nikkaji Number: J387.587C
• Wikidata: Q27105524
• Metabolomics Workbench ID: 67959
• ChEMBL ID: CHEMBL2074784
• Mol file: 25892-63-1.mol

Synonyms:4-methylumbelliferone sulfate;4-methylumbelliferyl sulfate;4-methylumbelliferyl sulfate, potassium salt;hymecromone sulfate

Chemical Property of 4-Methylumbelliferone sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 102.19000
• Density: g/cm³
• LogP: 2.36380
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 256.00415914
• Heavy Atom Count: 17
• Complexity: 446

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)O

Technology Process of 4-Methylumbelliferone sulfate

There total 1 articles about 4-Methylumbelliferone sulfate 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:

7-hydroxy-4-methyl-chromen-2-one (90-33-5,79566-13-5) → [3H]-4-Methylumbelliferone sulfate (25892-63-1)

Guidance literature:

With pyridine; chlorosulphuric acid;

DOI:10.1042/bj0610569

Reference yield:

[3H]-4-Methylumbelliferone sulfate (25892-63-1) → 7-hydroxy-4-methyl-chromen-2-one (90-33-5,79566-13-5)

Guidance literature:

With hydrogenchloride; In water; at 40 ℃; Kinetics; half-life;

DOI:10.1002/jps.2600830128

upstream raw materials:

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

Downstream raw materials:

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

Refernces

• 1、 Woo, L. W. Lawrence,Howarth, Nicola M.,Purohit, Atul,Hejaz, Hatem A. M.,Reed, Michael J.,Potter, Barry V. L.. "Steroidal and nonsteroidal sulfamates as potent inhibitors of steroid sulfatase". . p. 1068 - 1083. Retrieved 2007/10/03.