5-(4-Methoxyphenyl)pent-4-ynoic acid

Base Information

Chemical Name:5-(4-Methoxyphenyl)pent-4-ynoic acid
CAS No.:137742-44-0
Molecular Formula:C12H12O3
Molecular Weight:204.225
Hs Code.:
DSSTox Substance ID:DTXSID90577413
Wikidata:Q82467413
Mol file:137742-44-0.mol

Synonyms:5-(4-methoxyphenyl)pent-4-ynoic acid;137742-44-0;DTXSID90577413

Suppliers and Price of 5-(4-Methoxyphenyl)pent-4-ynoic acid

Supply Marketing:

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

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Chemical Property of 5-(4-Methoxyphenyl)pent-4-ynoic acid

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:204.078644241
Heavy Atom Count:15
Complexity:263

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C#CCCC(=O)O

Technology Process of 5-(4-Methoxyphenyl)pent-4-ynoic acid

There total 8 articles about 5-(4-Methoxyphenyl)pent-4-ynoic 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: 76.0%

: 154477-03-9
5-(4'-methoxyphenyl)-4-pentyn-1-ol

: 137742-44-0
5-<4-methoxyphenyl>-4-pentynoic acid

Guidance literature:: With Jones reagent; In acetone; at 0 ℃; for 0.25h; Inert atmosphere;
DOI:10.1021/acs.orglett.9b03557

Reference yield:

: 729580-61-4
ethyl 5-(4-methoxylphenyl)-4-pentynoate

: 137742-44-0
5-<4-methoxyphenyl>-4-pentynoic acid

Guidance literature:: With potassium hydroxide; In 1,4-dioxane; water; at 20 ℃;
DOI:10.1021/jo062320s

Reference yield:

: 63093-41-4
ethyl 4-pentynoate

: 137742-44-0
5-<4-methoxyphenyl>-4-pentynoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: CuI; diethylamine / Pd(PPh₃)4 / 20 °C

2: 412 mg / KOH / dioxane; H₂O / 20 °C

With potassium hydroxide; copper(l) iodide; diethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; water; 1: Sonogashira cross-coupling;
DOI:10.1021/jo062320s