1-ETHYNYL-4-OCTYLOXY-BENZENE

Base Information

• Chemical Name: 1-ETHYNYL-4-OCTYLOXY-BENZENE
• CAS No.: 137338-08-0
• Molecular Formula: C9H5FO
• Molecular Weight: 148.1338032
• Hs Code.: 2913000090
• Mol file: 137338-08-0.mol

Synonyms:1-ETHYNYL-4-OCTYLOXY-BENZENE;Benzaldehyde, 2-ethynyl-6-fluoro- (9CI)

Chemical Property of 1-ETHYNYL-4-OCTYLOXY-BENZENE

Chemical Property:

• Vapor Pressure: 0.056mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 233.4°C at 760 mmHg
• Flash Point: 85.4°C
• PSA: 17.07000
• Density: 1.17g/cm³
• LogP: 1.61950

Purity/Quality:

95% ^*data from raw suppliers

2-Ethynyl-6-fluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-ETHYNYL-4-OCTYLOXY-BENZENE

There total 2 articles about 1-ETHYNYL-4-OCTYLOXY-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-fluoro-6-(2-(trimethylsilyl)ethynyl)benzaldehyde (608515-45-3) → C9H5FO (137338-08-0)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.0c03365

Reference yield:

2-bromo-6-fluorobenzaldehyde (360575-28-6) → C9H5FO (137338-08-0)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine / 0 - 45 °C / Inert atmosphere; Schlenk technique

2: potassium carbonate / methanol / 0.5 h / 20 °C / Inert atmosphere; Schlenk technique

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; triethylamine; In methanol;

DOI:10.1021/acs.orglett.0c03365

Reference yield: 72.0%

tert-butylisonitrile (119072-55-8,7188-38-7) + C9H5FO (137338-08-0) + phenylpropyolic acid (637-44-5) → N-(2-(tert-butylamino)-1-(2-ethynyl-6-fluorophenyl)-2-oxoethyl)-3-phenylpropiolamide

Guidance literature:

With ammonia; sodium sulfate; In methanol; 2,2,2-trifluoroethanol; at 20 ℃; for 12h;

DOI:10.1021/acs.orglett.0c03062

upstream raw materials:

2-bromo-6-fluorobenzaldehyde

2-fluoro-6-(2-(trimethylsilyl)ethynyl)benzaldehyde

Downstream raw materials:

C₁₉H₁₆FN₃O₂S

C₁₂H₉F

Refernces

• 1、 Yu, Bangkui,Yu, Houjian,Huang, Hanmin. "Palladium-catalyzed chemoselective aminomethylative cyclization and aromatizing allylic amination: Access to functionalized naphthalenes". . p. 8962 - 8966. Retrieved 2020/11/13.