Methoxyphenyl ethynyl ketone

Base Information

• Chemical Name: Methoxyphenyl ethynyl ketone
• CAS No.: 1776-13-2
• Molecular Formula: C₁₀H₈O₂
• Molecular Weight: 160.172
• DSSTox Substance ID: DTXSID101298520
• Mol file: 1776-13-2.mol

Synonyms:methoxyphenyl ethynyl ketone;SCHEMBL17244238;DTXSID101298520;AKOS014914993;1-(2-Methoxyphenyl)-2-propyn-1-one;1776-13-2

Chemical Property of Methoxyphenyl ethynyl ketone

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 160.052429494
• Heavy Atom Count: 12
• Complexity: 211

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC=C1C(=O)C#C

Technology Process of Methoxyphenyl ethynyl ketone

There total 3 articles about Methoxyphenyl ethynyl ketone 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: 91.0%

1-(2-methoxyphenyl)prop-2-yn-1-ol (1776-12-1) → 1-(2-methoxyphenyl)-2-propyn-1-one (1776-13-2)

Guidance literature:

With hydrogenchloride; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; laccase from Trametes versicolor; In water; ethyl acetate; at 30 ℃; for 7h; pH=6; Catalytic behavior; Green chemistry; Enzymatic reaction;

DOI:10.1016/j.catcom.2020.105946

Reference yield:

ortho-anisaldehyde (135-02-4) → 1-(2-methoxyphenyl)-2-propyn-1-one (1776-13-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NaNH₂ / liquid ammonia

2: CrO₃

With chromium(VI) oxide; sodium amide; In ammonia;

DOI:10.1039/jr9650003610

Reference yield:

2-Methoxybenzoyl chloride (21615-34-9) + trimethylsilylacetylene (1066-54-2) → 1-(2-methoxyphenyl)-2-propyn-1-one (1776-13-2)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 - 20 ℃; for 1h;

DOI:10.1128/AAC.02574-16

upstream raw materials:

1-(2-methoxyphenyl)prop-2-yn-1-ol

ortho-anisaldehyde

2-Methoxybenzoyl chloride

trimethylsilylacetylene

Downstream raw materials:

2-Diaethylamino-vinyl-(2-methoxy-phenyl)-keton

2,5-dimethyl-3,4-diphenyl-benzophenone

2,3,4,5-tetraphenyl-benzophenone

3-(furan-2-yl)-1-(2-methoxy phenyl)prop-2-yn-1-one