Diethyl oct-4-enedioate

Base Information

• Chemical Name: Diethyl oct-4-enedioate
• CAS No.: 14277-17-9
• Molecular Formula: C12H20O4
• Molecular Weight: 228.288
• DSSTox Substance ID: DTXSID80706715
• Mol file: 14277-17-9.mol

Synonyms:Diethyl oct-4-enedioate;14277-17-9;DTXSID80706715

Chemical Property of Diethyl oct-4-enedioate

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 228.13615911
• Heavy Atom Count: 16
• Complexity: 209

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC=CCCC(=O)OCC

Technology Process of Diethyl oct-4-enedioate

There total 5 articles about Diethyl oct-4-enedioate 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: 47.0%

ethyl 4-pentenoate (1968-40-7) → ethene (74-85-1) + 1,2-Bis-(ethoxycarbonyl)-hex-4-en (14277-17-9)

Guidance literature:

With 1,1,3,3-tetramethyl-1,3-disiletane; tungsten(VI) chloride; In benzene; at 80 - 82 ℃; for 10h;

DOI:10.1007/BF00953372

Reference yield: 13.0%

ethyl 4-pentenoate (1968-40-7) + C12H12ClF2NO (577748-50-6) → ethyl (Z)-8-chloro-7,7-difluoro-8-(4-methoxyphenylimino)-4-octenoate + ethyl (E)-8-chloro-7,7-difluoro-8-(4-methoxyphenylimino)-4-octenoate (1148049-56-2) + 2,2,7,7-tetrafluoro-N,N'-bis(4-methoxyphenyl)-4-octene-bis(imidoyl) dichloride + 1,2-Bis-(ethoxycarbonyl)-hex-4-en (14277-17-9)

Guidance literature:

With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; In dichloromethane; at 95 ℃; for 3h; optical yield given as %de; Inert atmosphere;

DOI:10.1021/jo900296d

Reference yield: 4.0%

1-Heptene (592-76-7) → dodec-6-ene (29493-00-3) + ethene (74-85-1) + ethyl trans-4-decenoate (76649-16-6) + 1,2-Bis-(ethoxycarbonyl)-hex-4-en (14277-17-9)

Guidance literature:

With 1,1,3,3-tetramethyl-1,3-disiletane; 4-heptenoic acid; tungsten(VI) chloride; In benzene; at 80 - 82 ℃; for 10h;

DOI:10.1007/BF00953372

upstream raw materials:

1-Heptene

ethyl 4-pentenoate

C₁₂H₁₂ClF₂NO