5-(Hydroxymethyl)-5-methyloxolan-2-one

Base Information

• Chemical Name: 5-(Hydroxymethyl)-5-methyloxolan-2-one
• CAS No.: 74397-28-7
• Molecular Formula: C6H10O3
• Molecular Weight: 130.144
• DSSTox Substance ID: DTXSID90605604
• Nikkaji Number: J1.090.120K

Synonyms:5-(Hydroxymethyl)-5-methyldihydrofuran-2-one;74397-28-7;5-(Hydroxymethyl)-5-methyloxolan-2-one;SCHEMBL1165003;DTXSID90605604

Chemical Property of 5-(Hydroxymethyl)-5-methyloxolan-2-one

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 132

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CCC(=O)O1)CO

Technology Process of 5-(Hydroxymethyl)-5-methyloxolan-2-one

There total 2 articles about 5-(Hydroxymethyl)-5-methyloxolan-2-one 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: 11.0%

4-Methylpentanoic acid (646-07-1) → Pantoyllacton (13861-97-7) + 5-hydroxymethyl-5-methyl-dihydro-furan-2-one (74397-28-7)

Guidance literature:

With C₂₄H₃₂FeN₆⁽⁴⁺⁾*2F₆Sb^(1-); dihydrogen peroxide; optical yield given as %ee;

DOI:10.1038/nchem.967

Reference yield:

4-Methylpentanoic acid (646-07-1) → dihydro-5,5-dimethyl-2(3H)-furanone (3123-97-5) + 4-hydroxy-4-methyl-valeric acid (23327-19-7) + 5-hydroxymethyl-5-methyl-dihydro-furan-2-one (74397-28-7)

Guidance literature:

With Fe(triflate)2(1-(6-methyl-2-pyridylmethyl)-4,7-dimethyl-1,4,7-triazacyclononane); dihydrogen peroxide; acetic acid; In water; acetonitrile; at 0 ℃; for 0.666667h; Reagent/catalyst;

DOI:10.1002/chem.201203281

upstream raw materials:

4-Methylpentanoic acid

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