Dihydro-4-methyl-5-(3-methylbutyl)-2(3H)-furanone, trans-

Base Information

• Chemical Name: Dihydro-4-methyl-5-(3-methylbutyl)-2(3H)-furanone, trans-
• CAS No.: 81469-37-6
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.252
• UNII: K391OWP99O
• Wikidata: Q27281891
• Mol file: 81469-37-6.mol

Synonyms:K391OWP99O;Dihydro-4-methyl-5-(3-methylbutyl)-2(3H)-furanone, trans-;81469-37-6;2(3H)-Furanone, dihydro-4-methyl-5-(3-methylbutyl)-, trans-;UNII-K391OWP99O;Q27281891;trans-dihydro-4-methyl-5-(3-methylbutyl)-2(3H)-furanone

Chemical Property of Dihydro-4-methyl-5-(3-methylbutyl)-2(3H)-furanone, trans-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC(=O)OC1CCC(C)C
• Isomeric SMILES: C[C@@H]1CC(=O)O[C@H]1CCC(C)C

Technology Process of Dihydro-4-methyl-5-(3-methylbutyl)-2(3H)-furanone, trans-

There total 10 articles about Dihydro-4-methyl-5-(3-methylbutyl)-2(3H)-furanone, trans- 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:

6-methyl-1-heptyn-3-ol (81469-35-4) → trans-4-Methyl-5-(3-methylbutyl)-4,5-dihydrofuran-2(3H)-on (5561-08-0,81469-37-6,97309-59-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) BuLi

2: Hydrogen / Pd/BaSO₄

With n-butyllithium; hydrogen; Pd-BaSO₄;

DOI:10.1016/S0040-4039(01)92478-5

Reference yield:

4-Hydroxy-7-methyl-oct-2-ynoic acid (81478-73-1) → trans-4-Methyl-5-(3-methylbutyl)-4,5-dihydrofuran-2(3H)-on (5561-08-0,81469-37-6,97309-59-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Hydrogen / Pd/BaSO₄

With hydrogen; Pd-BaSO₄;

DOI:10.1016/S0040-4039(01)92478-5

Reference yield:

isocaproic aldehyde (1119-16-0) → trans-4-Methyl-5-(3-methylbutyl)-4,5-dihydrofuran-2(3H)-on (5561-08-0,81469-37-6,97309-59-6)

Guidance literature:

Multi-step reaction with 4 steps

2: 1.) BuLi

3: Hydrogen / Pd/BaSO₄

With n-butyllithium; hydrogen; Pd-BaSO₄;

DOI:10.1016/S0040-4039(01)92478-5

upstream raw materials:

4,5-Epoxy-3,7-dimethyloctansaeure-ethylester

5-(3-Methyl-butyl)-5H-furan-2-one

3,4-Epoxy-6-methyl-2-heptanon

(E)-4,5-Epoxy-3,7-dimethyl-2-octensaeure-ethylester