2-Nonenoic acid, ethyl ester

Base Information

• Chemical Name: 2-Nonenoic acid, ethyl ester
• CAS No.: 38112-59-3
• Molecular Formula: C11H20O2
• Molecular Weight: 184.279
• European Community (EC) Number: 241-476-1
• NSC Number: 250998
• DSSTox Substance ID: DTXSID201314389
• Nikkaji Number: J1.122.333H,J287.059B
• Mol file: 38112-59-3.mol

Synonyms:Ethyl non-2-enoate;2-Nonenoic acid, ethyl ester;ethyl (E)-non-2-enoate;Ethyl 2-nonenoate;38112-59-3;17463-01-3;2-Nonenoic acid, ethyl ester, (E)-;Ethyl (E)-2-nonenoate;ETHYL (2E)-NON-2-ENOATE;starbld0038353;(E)-ethyl 2-nonenoate;Ethyl (2E)-2-nonenoate;Ethyl (2E)-2-nonenoate #;SCHEMBL1468542;(E)-2-Nonenoic acid ethyl ester;DTXSID201314389;(E)-non-2-enoic acid ethyl ester;2-NONENOIC ACID ETHYL ESTER;trans-non-2-enoic acid ethyl ester;AC9668;NSC250998;AKOS006271986;NSC-250998

Chemical Property of 2-Nonenoic acid, ethyl ester

Chemical Property:

• PSA: 26.30000
• LogP: 3.07610
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

Ethyl(E)-2-nonenoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC=CC(=O)OCC
• Isomeric SMILES: CCCCCC/C=C/C(=O)OCC

Technology Process of 2-Nonenoic acid, ethyl ester

There total 34 articles about 2-Nonenoic acid, ethyl ester 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: 96.0%

diazoacetic acid ethyl ester (623-73-4) + heptanal (111-71-7) → ethyl (2E)-non-2-enoate (38112-59-3)

Guidance literature:

With tributylstibine; copper(l) iodide; In benzene; at 40 ℃; for 4h;

DOI:10.1016/S0040-4039(00)97988-7

Reference yield: 95.0%

diethoxyphosphoryl-acetic acid ethyl ester (867-13-0) + heptanal (111-71-7) → ethyl (2E)-non-2-enoate (38112-59-3)

Guidance literature:

With potassium carbonate; In 1,4-dioxane; at 70 ℃; for 2.3h;

Reference yield: 90.0%

2-bromo-n-nonanoic acid ethyl ester (7425-60-7) → ethyl (2E)-non-2-enoate (38112-59-3)

Guidance literature:

With sodium hydrogencarbonate; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 100 ℃; for 3h;

DOI:10.1007/BF00957966

upstream raw materials:

heptanal

hydrogen ethyl malonate

ethyl 3-hydroxynonanoate

3-Benzenesulfonyl-nonanoic acid ethyl ester

Downstream raw materials:

Ethyl trans-3-hexyloxirane-2-carboxylate

2-nonenyl alcohol

(2S,3R)-1-(3,5-Dinitro-benzoyl)-3-hexyl-aziridine-2-carboxylic acid ethyl ester

(E)-2-nonenoic acid