Meranzin hydrate

Base Information

• Chemical Name: Meranzin hydrate
• CAS No.: 5673-37-0
• Molecular Formula: C15H18O5
• Molecular Weight: 278.305
• DSSTox Substance ID: DTXSID60408023
• Nikkaji Number: J445.062K
• Wikidata: Q82213380
• Metabolomics Workbench ID: 133990
• ChEMBL ID: CHEMBL433093
• Mol file: 5673-37-0.mol

Synonyms:meranzin hydrate

Chemical Property of Meranzin hydrate

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 278.11542367
• Heavy Atom Count: 20
• Complexity: 390

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O

Technology Process of Meranzin hydrate

There total 3 articles about Meranzin hydrate 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: 30.0%

7-methoxy-8-((3,3-dimethyloxiran-2-yl)methyl)-2H-chromen-2-one (489-53-2) → 2'-hydroxylisoosthole (51559-35-4) + isomeranzin (1088-17-1) + 7-methoxy-8-(2',3'-dihydroxy-3'-methylbutyl)coumarin (5673-37-0) + 7-Methoxy-8-(2'-trifluoracetoxy-3'-hydroxy-3'-methylbutyl)coumarin (93525-01-0)

Guidance literature:

With trifluoroacetic acid; In benzene; at 0 - 5 ℃; Further byproducts given;

Reference yield: 20.0%

7-methoxy-8-((3,3-dimethyloxiran-2-yl)methyl)-2H-chromen-2-one (489-53-2) → 7-Methoxy-8-(2'-formyl-2'-methylpropyl)coumarin (5980-07-4) + isomeranzin (1088-17-1) + 7-methoxy-8-(2',3'-dihydroxy-3'-methylbutyl)coumarin (5673-37-0) + 7-Methoxy-8-(2'-trifluoracetoxy-3'-hydroxy-3'-methylbutyl)coumarin (93525-01-0)

Guidance literature:

With trifluoroacetic acid; In benzene; at 0 - 5 ℃; Yield given. Further byproducts given;

Reference yield:

coumurrin (55136-73-7,112457-36-0) → merazin hydrate (5673-37-0,5875-49-0,55176-56-2)

Guidance literature:

With sodium hydroxide; In methanol; Ambient temperature;

upstream raw materials:

7-methoxy-8-((3,3-dimethyloxiran-2-yl)methyl)-2H-chromen-2-one

coumurrin

Downstream raw materials:

murraol

isomeranzin

Refernces

• 1、 Barik, Bikash R.,Dey, Ashesh K.,Das, Probhash C.,Kundu, Amit B.,Chatterjee, Asima. "Molecular Rearrangement of Osthol Epoxide with Pyridinium Chloride and Trifluoracetic acid". . p. 223 - 226. Retrieved 2007/10/02.