3-(4-hydroxyphenyl)hex-4-ynoicacid

Base Information

• Chemical Name: 3-(4-hydroxyphenyl)hex-4-ynoicacid
• CAS No.: 865233-34-7
• Molecular Formula: C12H12O3
• Molecular Weight: 204.225
• Hs Code.: 2918290090
• Mol file: 865233-34-7.mol

Synonyms:3-(4-hydroxyphenyl)hex-4-ynoicacid

Chemical Property of 3-(4-hydroxyphenyl)hex-4-ynoicacid

Chemical Property:

• Boiling Point: 398.2±37.0 °C(Predicted)
• PKA: 4.23±0.10(Predicted)
• PSA: 57.53000
• Density: 1.234±0.06 g/cm3(Predicted)
• LogP: 1.97380

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Hydroxyphenyl)hex-4-ynoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-(4-hydroxyphenyl)hex-4-ynoicacid

There total 7 articles about 3-(4-hydroxyphenyl)hex-4-ynoicacid 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: 100.0%

(+/-)-5-[1-(4-hydroxy-phenyl)-but-2-ynyl]-2,2-dimethyl-[1,3]dioxane-4,6-dione (865233-33-6) → 4-hydroxy-β-1-propyn-1-ylbenzenepropanoic acid (865233-34-7)

Guidance literature:

With water; In pentan-3-one; for 48h; Reflux;

Reference yield:

5-(4-hydroxy-benzylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione (17474-27-0) → 4-hydroxy-β-1-propyn-1-ylbenzenepropanoic acid (865233-34-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tetrahydrofuran / 0.25 h / 50 °C / Inert atmosphere

2.1: pyridine; water / 16 h / Reflux

2.2: pH ~ 2

With pyridine; water; In tetrahydrofuran;

Reference yield:

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-hydroxy-β-1-propyn-1-ylbenzenepropanoic acid (865233-34-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: water / 2 h / 75 °C

2.1: tetrahydrofuran / 0.25 h / 50 °C / Inert atmosphere

3.1: pyridine; water / 16 h / Reflux

3.2: pH ~ 2

With pyridine; water; In tetrahydrofuran; water;

upstream raw materials:

(+/-)-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

4-hydroxy-benzaldehyde

acetic acid 4-(2,2-dimethyl-4,6-dioxo[1,3]dioxan-5-ylidenemethyl)-phenyl ester

Downstream raw materials:

(3S)-3-(4-hydroxy-phenyl)-hex-4-ynoic acid

(3S)-3-(4-hydroxyphenyl)hex-4-ynoic acid (1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol salt

(R)-3-(4-hydroxyphenyl)-hex-4-ynoic acid (R)-α-methylbenzylamine salt

3-[4-(tetrahydropyran-2-yloxy)-phenyl]-hex-4-ynoic acid methyl ester