CID 16219623

Base Information

• Chemical Name: CID 16219623
• CAS No.: 5980-33-6
• Molecular Formula: C10H8 O3 . Na
• Molecular Weight: 198.154
• Mol file: 5980-33-6.mol

Synonyms:SCHEMBL31014;AKOS040750996

Chemical Property of CID 16219623

Chemical Property:

• Vapor Pressure: 3.11E-06mmHg at 25°C
• Melting Point: 90-92 °C(lit.)
• Boiling Point: 377.4°C at 760 mmHg
• Flash Point: 174.5°C
• PSA: 53.27000
• Density: 1.319g/cm³
• LogP: 2.24520
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 199.03711339
• Heavy Atom Count: 14
• Complexity: 257

Purity/Quality:

99.5% ^*data from raw suppliers

4-Methylumbelliferone sodium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)O.[Na]
• Uses: 4-Methylumbelliferone Sodium Salt forms a complex with metals such as copper (II), zinc (II), nickel (II), cobalt (II) and iron (III) which displays spasmolytic activity. Also, it inhibits the hyaluronan acid in cultured human skin fibroblasts.

Technology Process of CID 16219623

There total 3 articles about CID 16219623 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:

methyl (4-methyl-2-oxo-2H-1-benzopyran-7-yl 4,5,7,8,9-penta-O-acetyl-3-deoxy-D-glycero-α-D-galacto-2-nonulopyranosid)onate (126695-25-8) → sodium 4-methylumbelliferonate (5980-33-6)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium methylate; methanol / 0 °C

2: lithium hydroxide monohydrate / water / 0 °C

3: sodium perchlorate; water / 50 °C / pH 7

With methanol; lithium hydroxide monohydrate; sodium perchlorate; water; sodium methylate; In water;

DOI:10.1002/ejoc.202101387

Reference yield:

C20H24O11 → sodium 4-methylumbelliferonate (5980-33-6)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium hydroxide monohydrate / water / 0 °C

2: sodium perchlorate; water / 50 °C / pH 7

With lithium hydroxide monohydrate; sodium perchlorate; water; In water;

DOI:10.1002/ejoc.202101387

Reference yield:

C19H22O11 (126695-26-9) → sodium 4-methylumbelliferonate (5980-33-6)

Guidance literature:

With sodium perchlorate; water; at 50 ℃; pH=7; Kinetics;

DOI:10.1002/ejoc.202101387

upstream raw materials:

C₁₉H₂₂O₁₁

methyl (4-methyl-2-oxo-2H-1-benzopyran-7-yl 4,5,7,8,9-penta-O-acetyl-3-deoxy-D-glycero-α-D-galacto-2-nonulopyranosid)onate

Downstream raw materials:

4-methyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one

potasan

4′-methylumbelliferyl 2,3,4,6-tetra-O-acetyl-α-D-mannopyranoside

sodium (4-methylumbelliferonyl 3-deoxy-D-glycero-α-D-galacto-2-nonulopyranosid)onate

Refernces