C₁₂H₈FNO

Base Information

• Chemical Name: C₁₂H₈FNO
• CAS No.: 1580494-63-8
• Molecular Formula: C₁₂H₈FNO
• Molecular Weight: 201.2
• Mol file: 1580494-63-8.mol

Synonyms:C₁₂H₈FNO

Chemical Property of C₁₂H₈FNO

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₁₂H₈FNO

There total 3 articles about C₁₂H₈FNO 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: 92.0%

methyl 4-(3-fluoroprop-1-yn-1-yl)benzoate (1580494-61-6) + acetonitrile (75-05-8,26809-02-9) → C12H8FNO (1580494-63-8)

Guidance literature:

acetonitrile; With n-butyllithium; In tetrahydrofuran; at -60 ℃; for 0.5h;

methyl 4-(3-fluoroprop-1-yn-1-yl)benzoate; at -60 ℃; for 2h;

DOI:10.1016/j.bmcl.2014.01.080

Reference yield:

methyl 4-(3-hydroxypropynyl)benzoate (61266-36-2) → C12H8FNO (1580494-63-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: (bis-(2-methoxyethyl)amino)sulfur trufluoride / dichloromethane / 48 h / 20 °C

2.1: n-butyllithium / tetrahydrofuran / 0.5 h / -60 °C

2.2: 2 h / -60 °C

With n-butyllithium; (bis-(2-methoxyethyl)amino)sulfur trufluoride; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2014.01.080

Reference yield:

methyl 4-iodobenzoate (619-44-3) → C12H8FNO (1580494-63-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; diethylamine / 24 h / 20 °C

2.1: (bis-(2-methoxyethyl)amino)sulfur trufluoride / dichloromethane / 48 h / 20 °C

3.1: n-butyllithium / tetrahydrofuran / 0.5 h / -60 °C

3.2: 2 h / -60 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; n-butyllithium; diethylamine; (bis-(2-methoxyethyl)amino)sulfur trufluoride; In tetrahydrofuran; dichloromethane; 1.1: |Sonogashira Cross-Coupling;

DOI:10.1016/j.bmcl.2014.01.080

upstream raw materials:

methyl 4-(3-fluoroprop-1-yn-1-yl)benzoate

acetonitrile

methyl 4-(3-hydroxypropynyl)benzoate

methyl 4-iodobenzoate

Downstream raw materials:

C₁₈H₁₉FN₂O₂

N,N-diethyl-2-(2-(4-(3-fluoroprop-1-yn-1-yl)phenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide

C₁₈H₂₁FN₄O