1,2-Epoxyoctane

Base Information

• Chemical Name: 1,2-Epoxyoctane
• CAS No.: 2984-50-1
• Molecular Formula: C8H16 O
• Molecular Weight: 128.214
• Hs Code.: 29109000
• European Community (EC) Number: 221-047-5
• NSC Number: 24246
• DSSTox Substance ID: DTXSID301031190
• Nikkaji Number: J34.611J
• Mol file: 2984-50-1.mol

Synonyms:octene-1,2-oxide

Chemical Property of 1,2-Epoxyoctane

Chemical Property:

• Vapor Pressure: 2.04mmHg at 25°C
• Refractive Index: n20/D 1.420
• Boiling Point: 169.5°Cat760mmHg
• Flash Point: 37.2°C
• PSA: 12.53000
• Density: 0.866g/cm³
• LogP: 2.35560
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Slightly soluble in water.
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 71

Purity/Quality:

98% ^*data from raw suppliers

1,2-Epoxyoctane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Plastics & Rubber -> Epoxides
• Canonical SMILES: CCCCCCC1CO1
• Uses: It is employed as an intermediate for organic synthesis.

Technology Process of 1,2-Epoxyoctane

There total 105 articles about 1,2-Epoxyoctane 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: 70.1%

oct-1-ene (111-66-0,25068-25-1) + peroxyphenylacetic acid (19910-09-9) → phenylacetic acid (103-82-2) + benzaldehyde (100-52-7) + 1,2-Epoxyoctane (2984-50-1) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

With [(N-(2-pyridylmethyl)iminodiisopropanol)_Coi₃(CH₃COO)₄]; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; acetonitrile; at 20 ℃; for 0.166667h; Reagent/catalyst; Concentration; Catalytic behavior;

DOI:10.1039/c6dt02701f

Reference yield: 68.0%

oct-1-ene (111-66-0,25068-25-1) → oct-1-en-3-one (4312-99-6) + 1,2-Epoxyoctane (2984-50-1)

Guidance literature:

With Cumene hydroperoxide; [Fe^II(1,1’-(((pyridin-2-ylmethyl)azanediyl)bis(ethane-2,1-diyl))bis(3-(tert-butyl)urea))(H₂O)(trifluoromethanesulfonate)](trifluoromethanesulfonate); In acetonitrile; at -20.16 - 9.84 ℃; for 1h; Reagent/catalyst; Catalytic behavior; Inert atmosphere;

DOI:10.1002/anie.201906978

Reference yield: 47.0%

phenylperacetic acid (4091-65-0) + oct-1-ene (111-66-0,25068-25-1) → phenylacetic acid (103-82-2) + benzaldehyde (100-52-7) + 1,2-Epoxyoctane (2984-50-1) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

With Ni(N-(2-pyridylmethyl)-N’-(2-hydroxyethyl)ethylenediamine)(N₃)₂; In dichloromethane; acetonitrile; at 20 ℃; for 0.166667h;

DOI:10.1002/chem.201604498

upstream raw materials:

peracetic acid

oct-1-ene

Perbenzoic acid

trifluoroacetyl peroxide

Downstream raw materials:

N,N'-(1,4-cyclohexylenebismethyl)-bis[2-hydroxyoctylamine]

2-hexyl thiirane

5-hexyl-1,3-oxathiolane-2-thione

1-p-Tolyloxy-octan-2-ol

Refernces

• 1、 Smet, Marie-Jose de,Witholt, Bernard,Wynberg, Hans. "Practical Approach to High-Yield Enzymatic Stereospecific Organic Synthesis in Multiphase Systems". . p. 3128 - 3131. Retrieved 1981.
• 2、 Casey,Tuinstra. "-". . p. 2270. Retrieved 1978.
• 3、 Colaiezzi, Roberta,Crucianelli, Marcello,Di Giuseppe, Andrea,Ferella, Francesco,Lazzarini, Andrea,Paolucci, Valentina. "Catalytic oxygen atom transfer promoted by tethered Mo(VI) dioxido complexes onto silica-coated magnetic nanoparticles". . . Retrieved 2021/11/30.
• 4、 Bikas, Rahman,Heydari, Neda,Lis, Tadeusz,Shaterian, Maryam. "Green solvent free epoxidation of olefins by a heterogenised hydrazone-dioxidotungsten(vi) coordination compound". . p. 4813 - 4827. Retrieved 2022/02/19.