5-Heptyl-3-methyl-2-pentylfuran

Base Information

• Chemical Name: 5-Heptyl-3-methyl-2-pentylfuran
• CAS No.: 170233-67-7
• Molecular Formula: C₁₇H₃₀O
• Molecular Weight: 250.425
• DSSTox Substance ID: DTXSID10438274
• Nikkaji Number: J695.185F
• Wikidata: Q82253962
• Mol file: 170233-67-7.mol

Synonyms:5-Heptyl-3-methyl-2-pentylfuran;170233-67-7;2-PENTYL-3-METHYL-5-HEPTYLFURAN;DTXSID10438274

Chemical Property of 5-Heptyl-3-methyl-2-pentylfuran

Chemical Property:

• Boiling Point: 322.3±11.0 °C(Predicted)
• PSA: 13.14000
• Density: 0.875±0.06 g/cm3(Predicted)
• LogP: 5.83360
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 250.229665576
• Heavy Atom Count: 18
• Complexity: 190

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1=CC(=C(O1)CCCCC)C

Technology Process of 5-Heptyl-3-methyl-2-pentylfuran

There total 2 articles about 5-Heptyl-3-methyl-2-pentylfuran 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: 96.0%

7-methylene-8-hexadecyn-6-ol → 2-Pentyl-3-methyl-5-heptylfuran (170233-67-7)

Guidance literature:

With silica gel; silver nitrate; In hexane; for 1h; Ambient temperature;

DOI:10.1021/jo00123a040

Reference yield:

1-Octyn-3-ol (818-72-4,37911-28-7) → 2-Pentyl-3-methyl-5-heptylfuran (170233-67-7)

Guidance literature:

Multi-step reaction with 3 steps

1: tetrabutylammomium bromide; hydrogen bromide / dichloromethane / 0 - 20 °C

2: diethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide / Inert atmosphere

3: / hexane / 0.67 h / 20 °C / Darkness

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; tetrabutylammomium bromide; hydrogen bromide; diethylamine; In hexane; dichloromethane;

DOI:10.15227/orgsyn.076.0263

upstream raw materials:

1-Octyn-3-ol

Refernces

• 1、 Marshall, James A.,Sehon, Clark A.,Frank, Scott A.,Roush, William R.. "Isomerization of ?-alkynyl allylic alcohols to furans catalyzed by silver nitrate on silica gel: 2-pentyl-3-methyl-5-heptylfuran: [ furan, 5-heptyl-3-methyl-2-pentyl- ]". . p. 263 - 263. Retrieved 2017/09/29.