Ethyl 8-(4-Chlorophenoxy)-2-methylen-octanoate

Base Information

• Chemical Name: Ethyl 8-(4-Chlorophenoxy)-2-methylen-octanoate
• CAS No.: 82258-37-5
• Molecular Formula: C17H23ClO3
• Molecular Weight: 310.821
• DSSTox Substance ID: DTXSID30404411
• Nikkaji Number: J1.457.072A
• Wikidata: Q82208597
• Mol file: 82258-37-5.mol

Synonyms:Ethyl 8-(4-Chlorophenoxy)-2-methylen-octanoate;82258-37-5;ethyl 8-(4-chlorophenoxy)-2-methylideneoctanoate;SCHEMBL7432413;DTXSID30404411;FT-0668207

Chemical Property of Ethyl 8-(4-Chlorophenoxy)-2-methylen-octanoate

Chemical Property:

• PSA: 35.53000
• LogP: 4.78860
• Solubility.: Acetone, Ethyl Acetate, Methanol
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 310.1335723
• Heavy Atom Count: 21
• Complexity: 309

Purity/Quality:

97% ^*data from raw suppliers

Ethyl8-(4-Chlorophenoxy)-2-methylen-octanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=C)CCCCCCOC1=CC=C(C=C1)Cl
• Uses: Ethyl 8-(4-Chlorophenoxy)-2-methylen-octanoate (cas# 82258-37-5) is a compound useful in organic synthesis.

Technology Process of Ethyl 8-(4-Chlorophenoxy)-2-methylen-octanoate

There total 3 articles about Ethyl 8-(4-Chlorophenoxy)-2-methylen-octanoate 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: 75.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + diethoxyphosphoryl-acetic acid ethyl ester (867-13-0) + 1-((6-bromohexyl)oxy)-4-chlorobenzene (37136-99-5) → ethyl 2-[6-(p-chlorophenoxy)hexyl]acrylate (82258-37-5)

Guidance literature:

Multistep reaction;

DOI:10.1016/S0957-4166(00)00304-9

Reference yield: 73.0%

(Z)-2-Bromomethyl-8-(4-chloro-phenoxy)-oct-2-enoic acid ethyl ester → ethyl 2-[6-(p-chlorophenoxy)hexyl]acrylate (82258-37-5)

Guidance literature:

(Z)-2-Bromomethyl-8-(4-chloro-phenoxy)-oct-2-enoic acid ethyl ester; With 1,4-diaza-bicyclo[2.2.2]octane; In tetrahydrofuran; water; at 20 ℃; for 0.25h;

With sodium tetrahydroborate; In tetrahydrofuran; water; at 20 ℃; for 0.25h;

DOI:10.1016/S0040-4039(00)01967-5

Reference yield:

piperidine (110-89-4) + 6-(4-chlorophenoxy)hexylmalonic acid ethyl ester → ethyl 2-[6-(p-chlorophenoxy)hexyl]acrylate (82258-37-5)

Guidance literature:

With pyridine; paraformaldehyde;

upstream raw materials:

formaldehyd

diethoxyphosphoryl-acetic acid ethyl ester

1-((6-bromohexyl)oxy)-4-chlorobenzene

piperidine

Downstream raw materials:

(R)-2-[6-(4-Chloro-phenoxy)-hexyl]-oxirane-2-carboxylic acid methyl ester

(S)-2-[6-(4-Chloro-phenoxy)-hexyl]-oxirane-2-carboxylic acid methyl ester

etomoxir

(S)-2-[6-(4-Chloro-phenoxy)-hexyl]-oxirane-2-carboxylic acid

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