Ethyl octan-2-yl carbonate

Base Information

• Chemical Name: Ethyl octan-2-yl carbonate
• CAS No.: 94149-27-6
• Molecular Formula: C11H22O3
• Molecular Weight: 202.294
• DSSTox Substance ID: DTXSID50535458
• Mol file: 94149-27-6.mol

Synonyms:Ethyl octan-2-yl carbonate;94149-27-6;ethyl 2-octyl carbonate;DTXSID50535458;MOJYDCHARQQDEP-UHFFFAOYSA-N

Chemical Property of Ethyl octan-2-yl carbonate

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 202.15689456
• Heavy Atom Count: 14
• Complexity: 146

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C)OC(=O)OCC

Technology Process of Ethyl octan-2-yl carbonate

There total 4 articles about Ethyl octan-2-yl carbonate 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:

orthoformic acid triethyl ester (122-51-0) → ethyl octan-2-yl carbonate (94149-27-6) + tetradecan-7-one (6137-34-4) + C7H15O3 (25748-61-2) + Diethyl carbonate (105-58-8,76619-83-5)

Guidance literature:

With 1-hexene; di-tert-butyl peroxide; at 140 ℃; for 2h; Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1007/BF00954092

Reference yield:

1-hexene (592-41-6,25067-06-5) + orthoformic acid triethyl ester (122-51-0) → ethyl octan-2-yl carbonate (94149-27-6) + formic acid ethyl ester (109-94-4) + Diethyl carbonate (105-58-8,76619-83-5)

Guidance literature:

With di-tert-butyl peroxide; at 140 ℃; for 1h; Product distribution;

Reference yield:

1-hexene (592-41-6,25067-06-5) + C7H15O3 (25748-61-2) → ethyl octan-2-yl carbonate (94149-27-6) + tetradecan-7-one (6137-34-4) + formic acid ethyl ester (109-94-4) + Diethyl carbonate (105-58-8,76619-83-5)

Guidance literature:

With di-tert-butyl peroxide; at 140 ℃; for 2h; Rate constant; Mechanism; relative rates of fragmentation and addition;

DOI:10.1007/BF00954092

upstream raw materials:

1-hexene

C₇H₁₅O₃

orthoformic acid triethyl ester

Downstream raw materials:

rac-octan-2-ol

Refernces

• 1、 Khatuntsev, I.I.,Pastushenko, E.V.,Terent'ev, A.B.. "RADICAL REACTIONS OF ETHYL ORTHOFORMATE WITH 1-HEXENE". . p. 2109 - 2112. Retrieved 2007/10/02.