6-Pentyl-1,4-dioxaspiro[4.4]nonane

Base Information

• Chemical Name: 6-Pentyl-1,4-dioxaspiro[4.4]nonane
• CAS No.: 94113-44-7
• Molecular Formula: C12H22 O2
• Molecular Weight: 198.305
• Hs Code.: 2932999099
• European Community (EC) Number: 302-577-7
• DSSTox Substance ID: DTXSID60916416
• Nikkaji Number: J368.141F
• Mol file: 94113-44-7.mol

Synonyms:94113-44-7;6-PENTYL-1,4-DIOXASPIRO[4.4]NONANE;EINECS 302-577-7;6-Pentyl-1,4-dioxaspiro(4.4)nonane;DTXSID60916416;ZBBPBGZPDYTISN-UHFFFAOYSA-N;NS00063732

Chemical Property of 6-Pentyl-1,4-dioxaspiro[4.4]nonane

Chemical Property:

• Vapor Pressure: 0.0712mmHg at 25°C
• Boiling Point: 236.8°Cat760mmHg
• Flash Point: 90.4°C
• PSA: 18.46000
• Density: 0.97g/cm³
• LogP: 3.10990
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1CCCC12OCCO2

Technology Process of 6-Pentyl-1,4-dioxaspiro[4.4]nonane

There total 3 articles about 6-Pentyl-1,4-dioxaspiro[4.4]nonane 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: 98.0%

2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoctane (7381-30-8) + 2-pentyl-cyclopentanone (4819-67-4) → 6-pentyl-1,4-dioxaspiro[4.4]nonane (94113-44-7)

Guidance literature:

With lithium perchlorate; In dichloromethane; for 0.166667h; Ambient temperature; electrolysis (platinum electrodes, 10 V, 0.4-0.5 mA);

DOI:10.1246/cl.1983.1349

Reference yield: 67.4%

2-pentyl-cyclopentanone (4819-67-4) + ethylene glycol (107-21-1) → 6-pentyl-1,4-dioxaspiro[4.4]nonane (94113-44-7)

Guidance literature:

With GdPO₄*(MoO₂)0.5PMo₁₂O₄₀; In toluene; at 110 ℃; Temperature; Solvent; Kinetics; Dean-Stark;

DOI:10.1134/S1070427218110204

Reference yield:

1-penten (109-67-1) + cyclopentanone (120-92-3) → 6-pentyl-1,4-dioxaspiro[4.4]nonane (94113-44-7)

Guidance literature:

Multi-step reaction with 2 steps

1: di-tert-butyl peroxide / 140 - 160 °C / Autoclave

2: GdPO₄*(MoO₂)0.5PMo₁₂O₄₀ / toluene / 110 °C / Dean-Stark

With di-tert-butyl peroxide; In toluene;

DOI:10.1134/S1070427218110204

upstream raw materials:

2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoctane

2-pentyl-cyclopentanone

ethylene glycol

1-penten

Refernces

• 1、 Alimardanov, Kh.M.,Sadygov,Abbasov,Suleimanova,Dzhafarova,Abdullaeva, M.Ya.,Abbasova. "Synthesis of higher spiroacetals by condensation of alkyl- and cycloalkylcyclopentanones and cyclohexanones with dihydric alcohols in the presence of heterogenic catalysts". experimental part. p. 1153 - 1160. Retrieved 2011/12/01.