1-Methoxy-2-(3-methylbut-1-yn-1-yl)benzene

Base Information

• Chemical Name: 1-Methoxy-2-(3-methylbut-1-yn-1-yl)benzene
• CAS No.: 104971-13-3
• Molecular Formula: C12H14O
• Molecular Weight: 174.243
• DSSTox Substance ID: DTXSID70542321
• Nikkaji Number: J603.625B
• Wikidata: Q82418942
• Mol file: 104971-13-3.mol

Synonyms:104971-13-3;1-Methoxy-2-(3-methylbut-1-yn-1-yl)benzene;DTXSID70542321

Chemical Property of 1-Methoxy-2-(3-methylbut-1-yn-1-yl)benzene

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 174.104465066
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C#CC1=CC=CC=C1OC

Technology Process of 1-Methoxy-2-(3-methylbut-1-yn-1-yl)benzene

There total 3 articles about 1-Methoxy-2-(3-methylbut-1-yn-1-yl)benzene 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:

2-iodo-propane (75-30-9) + 1-ethynyl-2-methoxybenzene (767-91-9) → phenylpropyne (104971-13-3)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1.) hexane, 30 min, r.t.; 2.) hexane, 18 h, reflux;

DOI:10.1039/P19850002443

Reference yield:

1-(2-methoxybenzoyl)-2-methylpropylidene(triphenyl)phosphorane (113234-65-4) → phenylpropyne (104971-13-3)

Guidance literature:

at 700 ℃; flash vacuum pyrolysis;

DOI:10.1016/S0040-4039(00)96366-4

Reference yield:

2-Methoxybenzoyl chloride (21615-34-9) → phenylpropyne (104971-13-3)

Guidance literature:

Multi-step reaction with 2 steps

2: 700 °C / flash vacuum pyrolysis

DOI:10.1016/S0040-4039(00)96366-4

upstream raw materials:

2-iodo-propane

1-ethynyl-2-methoxybenzene

1-(2-methoxybenzoyl)-2-methylpropylidene(triphenyl)phosphorane

2-Methoxybenzoyl chloride

Downstream raw materials:

2-(1-methylethyl)benzofuran