Methyl3-(4-hydroxyphenyl)hex-4-ynoate

Base Information

• Chemical Name: Methyl3-(4-hydroxyphenyl)hex-4-ynoate
• CAS No.: 865234-02-2
• Molecular Formula: C13H14O3
• Molecular Weight: 218.252
• Mol file: 865234-02-2.mol

Synonyms:Methyl3-(4-hydroxyphenyl)hex-4-ynoate

Chemical Property of Methyl3-(4-hydroxyphenyl)hex-4-ynoate

Chemical Property:

• Boiling Point: 355.7±37.0 °C(Predicted)
• PKA: 9.71±0.26(Predicted)
• PSA: 46.53000
• Density: 1.144±0.06 g/cm3(Predicted)
• LogP: 2.06220
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-(4-Hydroxyphenyl)hex-4-ynoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Methyl3-(4-hydroxyphenyl)hex-4-ynoate

There total 5 articles about Methyl3-(4-hydroxyphenyl)hex-4-ynoate 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: 90.9%

methanol (67-56-1) + 4-hydroxy-β-1-propyn-1-ylbenzenepropanoic acid (865233-34-7) → methyl 3-(4-hydroxyphenyl-1-propynyl)propanoate (865234-02-2)

Guidance literature:

With methanesulfonic acid; at 65 ℃; for 2h;

Reference yield: 85.0%

4-hydroxy-β-1-propyn-1-ylbenzenepropanoic acid (865233-34-7) + methyl iodide (74-88-4) → methyl 3-(4-hydroxyphenyl-1-propynyl)propanoate (865234-02-2)

Guidance literature:

4-hydroxy-β-1-propyn-1-ylbenzenepropanoic acid; With potassium hydrogencarbonate; In acetone; for 0.25h;

methyl iodide; In acetone; at 40 ℃;

Reference yield:

(+/-)-5-[1-(4-hydroxy-phenyl)-but-2-ynyl]-2,2-dimethyl-[1,3]dioxane-4,6-dione (865233-33-6) → methyl 3-(4-hydroxyphenyl-1-propynyl)propanoate (865234-02-2)

Guidance literature:

Multi-step reaction with 2 steps

1: water; pentan-3-one / Reflux

2: thionyl chloride / 0 °C

With thionyl chloride; water; pentan-3-one;

DOI:10.1016/j.bmcl.2011.03.114

upstream raw materials:

methanol

4-hydroxy-β-1-propyn-1-ylbenzenepropanoic acid

(+/-)-5-[1-(4-hydroxy-phenyl)-but-2-ynyl]-2,2-dimethyl-[1,3]dioxane-4,6-dione

5-(4-hydroxy-benzylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione

Downstream raw materials:

C₂₀H₁₇NO₄

methyl 3-[4-(benzyloxy)phenyl]hex-4-ynoate

Methyl 3-{4-[2-mehtyl-3-(4-trifluoromethylphenoxy)propoxy]phenyl}hex-4-ynoate

methyl 3-{4-[1-(3-tert-butylphenoxymethyl)cyclopropylmethoxy]phenyl}hex-4-ynoate