Ethyl trans-2-pentenoate

Base Information

• Chemical Name: Ethyl trans-2-pentenoate
• CAS No.: 24410-84-2
• Molecular Formula: C7H12 O2
• Molecular Weight: 128.171
• Hs Code.: 2916310090
• Nikkaji Number: J181.274B,J216.087K
• Mol file: 24410-84-2.mol

Synonyms:24410-84-2;Ethyl trans-2-pentenoate;ethyl (E)-pent-2-enoate;(Z)-2-Pentenoic acid ethyl ester;ETHYL (2E)-PENT-2-ENOATE;(E)-Ethyl pent-2-enoate;Ethyl 2-pentenoate;2-Pentenoic acid, ethyl ester;(E)-2-Pentenoic acid ethyl ester;2-Pentenoic acid, ethylester, (2E)-;27805-84-1;ethyl-(2E)-pent-2-enoate;Ethyl(E)-2-pentenoate;Ethyl (E)-2-Pentenoate;SCHEMBL94678;2-Pentenoic acid ethyl ester;Ethyl trans-pent-2-enoate 99%;Ethyl (2E)-pent-2-enoate, tech;MFCD06204561;AKOS006230266;CS-0361328

Chemical Property of Ethyl trans-2-pentenoate

Chemical Property:

• Vapor Pressure: 4.06mmHg at 25°C
• Boiling Point: 149.3°Cat760mmHg
• Flash Point: 45.4°C
• PSA: 26.30000
• Density: 0.907g/cm³
• LogP: 1.51570
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl trans-2-pentenoate

There total 15 articles about Ethyl trans-2-pentenoate 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: 92.0%

diethoxyphosphoryl-acetic acid ethyl ester (867-13-0) + propionaldehyde (123-38-6) → ethyl (2E)-pentenoate (24410-84-2)

Guidance literature:

With potassium carbonate; In 1,4-dioxane; at 25 ℃; for 2.3h;

Reference yield: 86.0%

ethanol (64-17-5) + trans-2-pentenoic acid (13991-37-2) → ethyl (2E)-pentenoate (24410-84-2)

Guidance literature:

With toluene-4-sulfonic acid; for 21.5h; Inert atmosphere; Reflux;

Reference yield: 78.0%

trans-2-pentenoic acid (13991-37-2) + ethyl iodide (75-03-6) → ethyl (2E)-pentenoate (24410-84-2)

Guidance literature:

With 18-crown-6 ether; potassium carbonate; In tetrahydrofuran; at 70 ℃; for 6h;

upstream raw materials:

hydrogen ethyl malonate

propionaldehyde

1-ethoxyacetylene

ethyl 2-(ethoxythiocarbonylthio)acetate

Downstream raw materials:

4-ethyl-5,5-dicarbethoxy-2-pyrrolidinone

(E)-2-penten-1-ol

N-tosyl-N-(1-pent-3-enyl)amine

Refernces

• 1、 Chen, Yang-Bo,Deng, Chao,Liu, Rai-Shung,Liu, Xin,Luo, Chen,Wang, Ze-Shu,Ye, Long-Wu,Zhai, Tong-Yi,Zhang, Yi-Ping. "Copper-Catalyzed Azide–Ynamide Cyclization to Generate α-Imino Copper Carbenes: Divergent and Enantioselective Access to Polycyclic N-Heterocycles". supporting information. p. 17984 - 17990. Retrieved 2020/08/21.
• 2、 Gajdosik. "Upadacitinib tartrate: Tyrosine-protein kinase JAK1 inhibitor Treatment of autoimmune inflammatory diseases Treatment of rheumatoid arthritis". . p. 731 - 743. Retrieved 2018/11/21.