2-Ethyloct-2-enoic acid

Base Information

• Chemical Name: 2-Ethyloct-2-enoic acid
• CAS No.: 5309-52-4
• Molecular Formula: C8H14 O2
• Molecular Weight: 142.198
• DSSTox Substance ID: DTXSID601031537
• Mol file: 5309-52-4.mol

Synonyms:DTXSID601031537

Chemical Property of 2-Ethyloct-2-enoic acid

Chemical Property:

• Vapor Pressure: 1.27E-15mmHg at 25°C
• Melting Point: −2 °C(lit.)
• Refractive Index: n20/D 1.46(lit.)
• Boiling Point: 123-126 °C12 mm Hg(lit.)
• PKA: 5.00±0.19(Predicted)
• Flash Point: 320.9°C
• Density: 1.74g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

98%Min ^*data from raw suppliers

2-ETHYL-2-HEXENOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-28-36/37/39-36/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=C(CC)C(=O)O

Technology Process of 2-Ethyloct-2-enoic acid

There total 8 articles about 2-Ethyloct-2-enoic acid 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:

2-ethylhexenal (645-62-5) → d,l-2-ethylhexanal (123-05-7) + 2-Ethylhexanoic acid (149-57-5) + 2‐ethylhex‐2‐en‐1‐ol (50639-00-4) + 2-ethylhex-2-enoic acid (5309-52-4)

Guidance literature:

With butan-1-ol; at 150 ℃; for 1h; under 11103.3 Torr; Autoclave; Inert atmosphere;

Reference yield:

2-ethylhexenal (645-62-5) → d,l-2-ethylhexanal (123-05-7) + 2-Ethylhexanoic acid (149-57-5) + 2-ethylhex-2-enoic acid (5309-52-4)

Guidance literature:

With butan-1-ol; at 150 ℃; for 4h; under 11103.3 Torr; Reagent/catalyst; Temperature; Time; Autoclave; Inert atmosphere;

Reference yield:

2-ethylhexenal (645-62-5) → d,l-2-ethylhexanal (123-05-7) + 2-Ethylhexyl alcohol (104-76-7) + 2-Ethylhexanoic acid (149-57-5) + 2-ethylhex-2-enoic acid (5309-52-4)

Guidance literature:

With butan-1-ol; at 150 ℃; for 4h; under 11103.3 Torr; Temperature; Reagent/catalyst; Autoclave; Inert atmosphere;

upstream raw materials:

2-ethylhexenal

ethyl-(1-methoxy-butyl)-malonic acid diethyl ester

butyraldehyde

Refernces

An efficient sequential reaction process to polysubstituted indolizidines and quinolizidines and its application to the total synthesis of indolizidine 223A

10.1021/ol047476y

The study presents an efficient sequential reaction process for the synthesis of polysubstituted indolizidines and quinolizidines, which are important structural motifs found in a variety of natural products with biological activities such as neurological and antitumor functions. The process involves the reaction of iodides with δ-chloropropylamines in the presence of potassium carbonate (K2CO3) in acetonitrile (MeCN), resulting in a series of SN2/Michael addition/SN2/SN2 reactions. This method was used to synthesize indolizidine 223A, a specific alkaloid, from 2-ethyl-2-hexenoic acid in 12 linear steps with an overall yield of 14.5%. The chemicals used in the study include iodides 1, δ-chloropropylamines 5, and K2CO3, which serve as reactants and catalysts to facilitate the formation of the target compounds. The purpose of these chemicals is to enable a rapid and stereocontrolled evolution of molecular complexity, which is crucial for the total synthesis of natural products and for diversity-oriented synthesis in drug development and chemical biology.