4-Ethynyl-2-fluoro-1-methoxybenzene

Base Information

• Chemical Name: 4-Ethynyl-2-fluoro-1-methoxybenzene
• CAS No.: 120136-28-9
• Molecular Formula: C₉H₇FO
• Molecular Weight: 150.152
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID30424053
• Mol file: 120136-28-9.mol

Synonyms:4-ethynyl-2-fluoro-1-methoxybenzene;120136-28-9;4-ethynyl-2-fluoro-1-methoxy-benzene;Benzene, 4-ethynyl-2-fluoro-1-methoxy-;3-F-4-CH3O-C6H3-CCH;SCHEMBL2437123;DTXSID30424053;3-Fluoro-4-methoxyphenylacetylene;PCQZNIONNPEWAZ-UHFFFAOYSA-N;MFCD08703468;AKOS010651474;CS-0442357;EN300-195338;A1-13626;Z1080385564

Chemical Property of 4-Ethynyl-2-fluoro-1-methoxybenzene

Chemical Property:

• Vapor Pressure: 0.357mmHg at 25°C
• Refractive Index: 1.509
• Boiling Point: 205.5°C at 760 mmHg
• Flash Point: 73.9°C
• PSA: 9.23000
• Density: 1.11g/cm³
• LogP: 1.81560
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.048093005
• Heavy Atom Count: 11
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

4-Ethynyl-2-fluoro-1-methoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Ethynyl-2-fluoro-1-methoxybenzene

There total 1 articles about 4-Ethynyl-2-fluoro-1-methoxybenzene 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: 76.9%

3-fluoro-p-anisaldehyde (351-54-2) + dimethyl 1-(1-diazo-2-oxopropyl)phosphonate (90965-06-3) → 3-fluoro-4-methoxyphenylacetylene (120136-28-9)

Guidance literature:

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

Reference yield: 6.3%

chloroformic acid ethyl ester (541-41-3) + 3-fluoro-4-methoxyphenylacetylene (120136-28-9) → ethyl 3-(3-fluoro-4-methoxyphenyl)propynoate

Guidance literature:

3-fluoro-4-methoxyphenylacetylene; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexanes; at -78 - 0 ℃; for 1h; Inert atmosphere;

chloroformic acid ethyl ester; In tetrahydrofuran; hexanes; at 20 ℃; for 12h;

Reference yield:

C13H16INO2 + 3-fluoro-4-methoxyphenylacetylene (120136-28-9) → C22H22FNO3

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; diethylamine; In N,N-dimethyl-formamide; at 60 ℃; for 1h; Inert atmosphere; Sealed tube; Microwave irradiation;

DOI:10.1021/jm400439t

upstream raw materials:

3-fluoro-p-anisaldehyde

dimethyl 1-(1-diazo-2-oxopropyl)phosphonate