Pentyl cinnamate

Base Information

• Chemical Name: Pentyl cinnamate
• CAS No.: 131751-34-3
• Molecular Formula: C14H18O2
• Molecular Weight: 218.296
• European Community (EC) Number: 222-478-1
• NSC Number: 46140
• UNII: WXA8VUX5JL
• DSSTox Substance ID: DTXSID7063051
• Nikkaji Number: J184.151C,J105.391D
• Wikidata: Q63398909
• Mol file: 131751-34-3.mol

Synonyms:pentyl cinnamate

Chemical Property of Pentyl cinnamate

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 218.130679813
• Heavy Atom Count: 16
• Complexity: 215

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Pentyl cinnamate

There total 9 articles about Pentyl 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: 95.0%

iron pentacarbonyl (13463-40-6,71564-23-3,37220-42-1) + pentan-1-ol (71-41-0) + phenylacetylene (536-74-3) → (E)-3-phenylacrylic acid pentyl ester (131751-34-3)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In N,N-dimethyl-formamide; at 100 ℃; for 0.5h; regioselective reaction;

DOI:10.1016/j.jorganchem.2016.01.025

Reference yield: 95.0%

iodobenzene (591-50-4) + pentyl acrylate (2998-23-4) → (E)-3-phenylacrylic acid pentyl ester (131751-34-3)

Guidance literature:

With tributyl-amine; montmorilloniteethylsilyldiphenylphosphine palladium(II) chloride; at 100 ℃; for 2h;

DOI:10.1016/S0040-4020(01)88131-X

Reference yield: 13.0%

pentan-1-ol (71-41-0) + carbon monoxide (201230-82-2) + phenylacetylene (536-74-3) → (E)-3-phenylacrylic acid pentyl ester (131751-34-3) + C14H18O2 (1156532-58-9)

Guidance literature:

With palladium diacetate; toluene-4-sulfonic acid; 1,4-di(diphenylphosphino)-butane; In acetonitrile; at 110 ℃; for 1h; under 5171.62 Torr; regioselective reaction; Autoclave;

DOI:10.1002/aoc.1585

upstream raw materials:

pentan-1-ol

Cinnamoyl chloride

iodobenzene

pentyl acrylate