4-Fluoro-2-methoxy-(prop-2-ynyloxy)-benzene

Base Information

• Chemical Name: 4-Fluoro-2-methoxy-(prop-2-ynyloxy)-benzene
• CAS No.: 497242-89-4
• Molecular Formula: C10H9FO2
• Molecular Weight: 180.179
• DSSTox Substance ID: DTXSID00408269
• Wikidata: Q82213678
• Mol file: 497242-89-4.mol

Synonyms:497242-89-4;4-fluoro-2-methoxy-(prop-2-ynyloxy)-benzene;SCHEMBL6598860;DTXSID00408269;DGCNNTWVFCIVMP-UHFFFAOYSA-N;AKOS006237859;4-fluoro-2-methoxy-1-prop-2-ynyloxy-benzene

Chemical Property of 4-Fluoro-2-methoxy-(prop-2-ynyloxy)-benzene

Chemical Property:

• Boiling Point: 237.1±30.0 °C(Predicted)
• PSA: 18.46000
• Density: 1.137±0.06 g/cm3(Predicted)
• LogP: 1.84630
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.05865769
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Fluoro-2-methoxy-(prop-2-ynyloxy)-benzene

There total 1 articles about 4-Fluoro-2-methoxy-(prop-2-ynyloxy)-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: 75.0%

2-methoxy-4-fluorophenol (450-93-1) + propargyl bromide (106-96-7) → 4-fluoro-2-methoxy-(prop-2-ynyloxy)-benzene (497242-89-4)

Guidance literature:

2-methoxy-4-fluorophenol; With potassium carbonate; In N,N-dimethyl-formamide; at 53 - 55 ℃; for 0.5h; Inert atmosphere;

propargyl bromide; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.3390/ph14040361

Reference yield: 77.0%

4-fluoro-2-methoxy-(prop-2-ynyloxy)-benzene (497242-89-4) + p-methoxy-phenylazide (2101-87-3) → C17H16FN3O3

Guidance literature:

With copper(II) sulfate; sodium L-ascorbate; In water; tert-butyl alcohol; at 20 ℃;

DOI:10.3390/ph14040361

Reference yield: 62.3%

4-fluoro-2-methoxy-(prop-2-ynyloxy)-benzene (497242-89-4) + m-Chlorobenzaldehyde (587-04-2) → 4-(4-fluoro-2-methoxy-phenoxy)-1-(3-chlorophenyl)-1-hydroxy-but-2-yne

Guidance literature:

4-fluoro-2-methoxy-(prop-2-ynyloxy)-benzene; With lithium hexamethyldisilazane; In tetrahydrofuran; hexane; at -70 - -65 ℃; for 0.666667h;

m-Chlorobenzaldehyde; In tetrahydrofuran; hexane; at -63 ℃; for 4h;

upstream raw materials:

2-methoxy-4-fluorophenol

propargyl bromide

Downstream raw materials:

C₁₈H₁₄FNO₂

2-[3-(4-fluoro-2-methoxy-phenoxy)-prop-1-ynyl]-thiophene-5-carbaldehyde