Dihydro-5-methyl-5-(3-methylbutyl)furan-2(3H)-one

Base Information

• Chemical Name: Dihydro-5-methyl-5-(3-methylbutyl)furan-2(3H)-one
• CAS No.: 3285-02-7
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• Hs Code.: 2932209090
• European Community (EC) Number: 221-935-2
• DSSTox Substance ID: DTXSID20954495
• Nikkaji Number: J262.387K
• Mol file: 3285-02-7.mol

Synonyms:3285-02-7;EINECS 221-935-2;5-methyl-5-(3-methylbutyl)oxolan-2-one;Dihydro-5-methyl-5-(3-methylbutyl)furan-2(3H)-one;DTXSID20954495;Dihydro-5-methyl-5-(3-methylbutyl)-3H-furan-2-one

Chemical Property of Dihydro-5-methyl-5-(3-methylbutyl)furan-2(3H)-one

Chemical Property:

• Vapor Pressure: 0.0444mmHg at 25°C
• Boiling Point: 237.6°Cat760mmHg
• Flash Point: 91.1°C
• PSA: 26.30000
• Density: 0.934g/cm³
• LogP: 2.51830
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCC1(CCC(=O)O1)C

Technology Process of Dihydro-5-methyl-5-(3-methylbutyl)furan-2(3H)-one

There total 2 articles about Dihydro-5-methyl-5-(3-methylbutyl)furan-2(3H)-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: 41.0%

(3-methylbutyl)magnesium bromide (4548-78-1) + 4-oxopentanoic acid ethyl ester (539-88-8) → 5-isopentyl-5-methyldihydrofuran-2(3H)-one (3285-02-7)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 3h; Inert atmosphere;

DOI:10.1002/chem.201701865

Reference yield:

→ 5-isopentyl-5-methyldihydrofuran-2(3H)-one (3285-02-7)

Guidance literature:

Hydrolysis_.Decarboxylierung;

Reference yield: 75.0%

5-isopentyl-5-methyldihydrofuran-2(3H)-one (3285-02-7) + (E)-1,2-bis(phenylsulfonyl)ethylene (963-16-6) → (E)-5-(3,3-dimethyl-5-(phenylsulfonyl)pent-4-en-1-yl)-5-methyldihydrofuran-2(3H)-one

Guidance literature:

With dipotassium peroxodisulfate; In water; acetonitrile; at 100 ℃; for 1h; Sealed tube;

DOI:10.1002/anie.202011992

upstream raw materials:

(3-methylbutyl)magnesium bromide

4-oxopentanoic acid ethyl ester

Refernces