6-(5-Chloro-2-methoxyphenyl)-hex-5-ynoic Acid Methyl Ester

Base Information

Chemical Name:6-(5-Chloro-2-methoxyphenyl)-hex-5-ynoic Acid Methyl Ester
CAS No.:864755-96-4
Molecular Formula:C14H15ClO3
Molecular Weight:266.724
Hs Code.:
DSSTox Substance ID:DTXSID80469156
Wikidata:Q82296748

Synonyms:864755-96-4;6-(5-Chloro-2-methoxyphenyl)-hex-5-ynoic Acid Methyl Ester;SCHEMBL4878167;DTXSID80469156;NLPDPZSTEPQSIS-UHFFFAOYSA-N

Suppliers and Price of 6-(5-Chloro-2-methoxyphenyl)-hex-5-ynoic Acid Methyl Ester

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 6-(5-Chloro-2-methoxyphenyl)-hex-5-ynoic Acid Methyl Ester

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:266.0709720
Heavy Atom Count:18
Complexity:328

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)Cl)C#CCCCC(=O)OC

Technology Process of 6-(5-Chloro-2-methoxyphenyl)-hex-5-ynoic Acid Methyl Ester

There total 1 articles about 6-(5-Chloro-2-methoxyphenyl)-hex-5-ynoic Acid Methyl 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:

: 695-96-5
2-bromo-4-chlorophenol

: 864755-96-4
6-(5-chloro-2-methoxyphenyl)hex-5-ynoic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / tetrabutylammonium bromide; aq. sodium hydroxide / CH₂Cl₂ / 22 h / 20 °C

2: 98 percent / triethylamine; Pd(PPh₃)2Cl₂; CuI / tetrahydrofuran / 29 h / 20 - 80 °C

With bis-triphenylphosphine-palladium(II) chloride; sodium hydroxide; copper(l) iodide; tetrabutylammomium bromide; triethylamine; In tetrahydrofuran; dichloromethane; 2: Sonogashira reaction;
DOI:10.1021/jm050452s