1-(2,4,6-Trimethoxyphenyl)prop-2-yn-1-ol

Base Information

• Chemical Name: 1-(2,4,6-Trimethoxyphenyl)prop-2-yn-1-ol
• CAS No.: 61040-72-0
• Molecular Formula: C12H14O4
• Molecular Weight: 222.23716
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID20479012
• Mol file: 61040-72-0.mol

Synonyms:61040-72-0;1-(2,4,6-Trimethoxyphenyl)prop-2-yn-1-ol;1-(2,4,6-TRIMETHOXY-PHENYL)-PROP-2-YN-1-OL;SCHEMBL18437935;DTXSID20479012;AKOS010652173

Chemical Property of 1-(2,4,6-Trimethoxyphenyl)prop-2-yn-1-ol

Chemical Property:

• PSA: 47.92000
• LogP: 1.37900
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

98%Min ^*data from raw suppliers

1-(2,4,6-Trimethoxyphenyl)prop-2-yn-1-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2,4,6-Trimethoxyphenyl)prop-2-yn-1-ol

There total 3 articles about 1-(2,4,6-Trimethoxyphenyl)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: 65.0%

2,4,6-trimethoxybenzaldehyde (830-79-5) + acetylenemagnesium bromide (4301-14-8) → 1-(2,4,6-trimethoxyphenyl)prop-2-yn-1-ol (61040-72-0)

Guidance literature:

2,4,6-trimethoxybenzaldehyde; acetylenemagnesium bromide; In tetrahydrofuran; at 0 - 20 ℃;

With water; ammonium chloride; In tetrahydrofuran;

DOI:10.1021/jm300176j

Reference yield:

2,4,6-trimethoxybenzaldehyde (830-79-5) + acetylene (74-86-2,25067-58-7) → 1-(2,4,6-trimethoxyphenyl)prop-2-yn-1-ol (61040-72-0)

Guidance literature:

Multistep reaction; (i) Na, liq. NH₃, (ii) /BRN= 1956051/;

Reference yield:

→ 1-(2,4,6-trimethoxyphenyl)prop-2-yn-1-ol (61040-72-0)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃;

upstream raw materials:

2,4,6-trimethoxybenzaldehyde

acetylene

acetylenemagnesium bromide

Downstream raw materials:

1-(2,4,6-Trimethoxy-phenyl)-buta-2,3-dien-1-ol

(Z)-1-(2,4,6-trimethoxyphenyl)-3-(3,4,5-trimethoxyphenylamino)prop-2-en-1-one

(Z)-3-(2-hydroxyphenylamino)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one

1-(2,4,6-trimethoxyphenyl)prop-2-yn-1-one

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