1-(4-Methoxyphenyl)prop-2-yn-1-ol

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)prop-2-yn-1-ol
• CAS No.: 19115-30-1
• Molecular Formula: C10H10 O2
• Molecular Weight: 162.188
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID20940717
• Nikkaji Number: J582.980A
• Mol file: 19115-30-1.mol

Synonyms:1'-hydroxy-2',3'-dehydroestragole;OHDHE

Chemical Property of 1-(4-Methoxyphenyl)prop-2-yn-1-ol

Chemical Property:

• Refractive Index: 1.6000 (estimate)
• Boiling Point: 266.7°Cat760mmHg
• Flash Point: 114.2°C
• PSA: 29.46000
• Density: 1.12g/cm³
• LogP: 1.36180
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

1-(4-methoxyphenyl)prop-2-yn-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Methoxyphenyl)prop-2-yn-1-ol

There total 21 articles about 1-(4-Methoxyphenyl)prop-2-yn-1-ol 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: 98.0%

4-methoxy-benzaldehyde (123-11-5) + acetylenemagnesium bromide (4301-14-8) → 1-(4-methoxyphenyl)-2-propyn-1-ol (19115-30-1)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1002/ejoc.201501249

Reference yield: 97.0%

4-methoxy-benzaldehyde (123-11-5) + trimethylsilylacetylene (1066-54-2) → 1-(4-methoxyphenyl)-2-propyn-1-ol (19115-30-1)

Guidance literature:

trimethylsilylacetylene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 0 ℃; for 0.5h; Inert atmosphere;

4-methoxy-benzaldehyde; In tetrahydrofuran; hexane; at -78 - 0 ℃; for 0.666667h; Inert atmosphere;

With potassium carbonate; In tetrahydrofuran; methanol; hexane; at 20 ℃; for 2h;

DOI:10.1021/acs.orglett.9b00334

Reference yield: 95.0%

ethynylmagnesium chloride (65032-27-1) + 4-methoxy-benzaldehyde (123-11-5) → 1-(4-methoxyphenyl)-2-propyn-1-ol (19115-30-1)

Guidance literature:

In tetrahydrofuran; at -78 - 20 ℃; for 4h; Inert atmosphere;

DOI:10.1002/asia.201201249

upstream raw materials:

4-methoxy-benzaldehyde

sodium acetylide

acetylene

acetylenemagnesium bromide

Downstream raw materials:

1-p-Methoxyphenylhexa-2,4-di-in-1-ol

3-acetoxy-3-(4-methoxyphenyl)prop-1-yne