Ethyl trans-2-decenoate

Base Information

• Chemical Name: Ethyl trans-2-decenoate
• CAS No.: 7367-88-6
• Molecular Formula: C12H22O2
• Molecular Weight: 198.305
• Hs Code.: 29161900
• European Community (EC) Number: 230-918-9,253-524-9
• UNII: B2K05S6L5Q
• DSSTox Substance ID: DTXSID50884377
• Nikkaji Number: J261.184H,J212.367C
• Wikidata: Q27159526
• Metabolomics Workbench ID: 47749
• Mol file: 7367-88-6.mol

Synonyms:Ethyl trans-2-decenoate;7367-88-6;Ethyl 2-decenoate;2-Decenoic acid, ethyl ester, (2E)-;Ethyl (E)-2-decenoate;ethyl (E)-dec-2-enoate;trans-2-Decenoic acid ethyl ester;Ethyl 2-decenoate, (2E)-;ETHYLTRANS-2-DECENOATE;FEMA No. 3641;2-Decenoic acid, ethyl ester, (E)-;Ethyl (2E)-2-decenoate;ethyl (2E)-dec-2-enoate;Ethyl 2-decenoate, (E)-;37486-72-9;EINECS 230-918-9;UNII-B2K05S6L5Q;B2K05S6L5Q;EINECS 253-524-9;Ethyl-trans-2-decenoat;(E)-Ethyl 2-decenoate;(2E)-ethyl 2-decenoate;(E)-ethyl dec-2-enoate;2-decenoic acid ethyl ester;Ethyl (2E)-2-decenoate #;SCHEMBL873713;ETHYL 2-(E)-DECENOATE;Ethyl trans-2-decenoate, 97%;CHEBI:87324;Ethyl ester(E)-2-Decenoic acid;FEMA 3641;(e)-2-decenoic acid ethyl ester;DTXSID50884377;GNJARWZWODMTDR-ZHACJKMWSA-N;Ethyl ester(2E)-2-Decenoic acid;LMFA07010851;MFCD00015299;AKOS015836247;HY-W127573;LS-2721;ETHYL TRANS-2-DECENOATE [FHFI];CS-0185794;D2767;Ethyl trans-2-decenoate, >=95%, FG (stabilised);Q27159526

Chemical Property of Ethyl trans-2-decenoate

Chemical Property:

• Appearance/Colour: colourless liquid
• Refractive Index: n20/D 1.445(lit.)
• Boiling Point: 254.9 °C at 760 mmHg
• Flash Point: 118.8 °C
• PSA: 26.30000
• Density: 0.886 g/cm³
• LogP: 3.46620
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 162

Purity/Quality:

98% ^*data from raw suppliers

Ethyl2-(E)-Decenoate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38-21
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCC=CC(=O)OCC
• Isomeric SMILES: CCCCCCC/C=C/C(=O)OCC
• Uses: Ethyl 2-(E)-Decenoate is a derivative of medium-chain fatty acids (MCFAs) that activates extracellular signal-regulated protein kinases 1 and 2, improved functional recovery and decreased lesion size in the injury site of the spinal cord.

Technology Process of Ethyl trans-2-decenoate

There total 80 articles about Ethyl trans-2-decenoate 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: 98.0%

Octanal (124-13-0) + C32H46O7PPol → (Z)-dec-2-enoic acid ethyl ester (7367-88-6,37486-72-9,42778-94-9)

Guidance literature:

C₃₂H₄₆O₇PPol; With 1,8-diazabicyclo[5.4.0]undec-7-ene; sodium iodide; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere; solid phase reaction;

Octanal; In tetrahydrofuran; at -78 - 0 ℃; for 3h; optical yield given as %de; stereoselective reaction; Inert atmosphere; solid phase reaction;

DOI:10.1016/j.tetlet.2010.02.113

Reference yield: 81.0%

diazoacetic acid ethyl ester (623-73-4) + Octanal (124-13-0) → ethyl (E)-2-decenate (7367-88-6) + (Z)-dec-2-enoic acid ethyl ester (7367-88-6,37486-72-9,42778-94-9)

Guidance literature:

With triphenylphosphine; In toluene; at 80 ℃; for 8h; optical yield given as %de; stereoselective reaction; Inert atmosphere;

DOI:10.1002/adsc.201100289

Reference yield: 81.0%

diazoacetic acid ethyl ester (623-73-4) + Octanal (124-13-0) → ethyl (E)-2-decenate (7367-88-6) + (Z)-dec-2-enoic acid ethyl ester (7367-88-6,37486-72-9,42778-94-9)

Guidance literature:

With triphenylphosphine; In toluene; at 80 ℃; for 8h; optical yield given as %de; stereoselective reaction; Inert atmosphere;

DOI:10.1002/adsc.201100289

upstream raw materials:

2-Methylsulfinyl-decansaeureethylester

diethoxyphosphoryl-acetic acid ethyl ester

Octanal

(E)-dec-2-enoyl chloride

Downstream raw materials:

ethyl (2S,3R)-2-hydroxy-3-(tosylamino)decanoate

trans-2-decenoic acid

1-Decanol

decanoic acid ethyl ester

Refernces

• 1、 Ding, Weijie,Hu, Juan,Jin, Huile,Yu, Xiaochun,Wang, Shun. "One-Pot Synthesis of α,β-Unsaturated Esters, Ketones, and Nitriles from Alcohols and Phosphonium Salts". . p. 107 - 118. Retrieved 2017/09/28.
• 2、 Xia, Xuanshu,Toy, Patrick H.. "Polyethyleneimine-Supported Triphenylphosphine and Its Use as a Highly Loaded Bifunctional Polymeric Reagent in Chromatography-Free One-Pot Wittig Reactions". supporting information. p. 1737 - 1743. Retrieved 2015/07/20.