2-Ethylhexyl cinnamate

Base Information

• Chemical Name: 2-Ethylhexyl cinnamate
• CAS No.: 217324-58-8
• Molecular Formula: C17H24O2
• Molecular Weight: 260.37
• European Community (EC) Number: 240-448-6
• UNII: 5B5YXQ8MSS
• Nikkaji Number: J1.795.857G,J286.887C
• Mol file: 217324-58-8.mol

Synonyms:2-Ethylhexyl cinnamate;ethylhexyl cinnamate;E-2-ethylhexyl cinnamate;5B5YXQ8MSS;16397-78-7;Ethylhexyl cinnamate [WHO-DD];2-ethylhexyl (E)-3-phenylprop-2-enoate;UNII-5B5YXQ8MSS;2-Propenoic acid, 3-phenyl-, 2-ethylhexyl ester, (2E)-;217324-58-8;2-ethylhexylcinnamate;SCHEMBL483426;(E)-Cinnamic acid 2-ethylhexyl ester;Benzeneacrylic acid 2-ethylhexyl ester

Chemical Property of 2-Ethylhexyl cinnamate

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 260.177630004
• Heavy Atom Count: 19
• Complexity: 264

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(CC)COC(=O)C=CC1=CC=CC=C1
• Isomeric SMILES: CCCCC(CC)COC(=O)/C=C/C1=CC=CC=C1

Technology Process of 2-Ethylhexyl cinnamate

There total 8 articles about 2-Ethylhexyl cinnamate 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: 99.0%

iodobenzene (591-50-4) + 2-Ethylhexyl acrylate (103-11-7) → 2-ethylhexyl cinnamate (16397-78-7,217324-58-8)

Guidance literature:

With (Bis(tri-tert-butylphosphine)palladium⁽⁰⁾); SPGS-550-M; NOK; triethylamine; In water; for 5h; Reagent/catalyst; Inert atmosphere; Sealed tube;

DOI:10.1021/jo401744b

Reference yield: 86.0%

bromobenzene (108-86-1,52753-63-6) + 2-Ethylhexyl acrylate (103-11-7) → 2-ethylhexyl cinnamate (16397-78-7,217324-58-8)

Guidance literature:

With potassium phosphate; [((ferrocenyl)(C(CH₃)N(C₆H₄)CH₃))PdCl(N,N'-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)]; tetrabutylammomium bromide; In N,N-dimethyl-formamide; at 140 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.tet.2010.04.040

Reference yield: 79.0%

2-Ethylhexyl acrylate (103-11-7) + phenylboronic acid (98-80-6) → 2-ethyl-n-hexyl trans-cinnamate (217324-58-8)

Guidance literature:

With C₃₈H₃₆Cl₂Fe₂N₂Pd₂; oxygen; In N,N-dimethyl-formamide; at 50 ℃; for 3h;

DOI:10.1016/j.tet.2009.12.027

upstream raw materials:

bromobenzene

2-Ethylhexyl acrylate

chlorobenzene

iodobenzene