4-but-1-yn-1-yl-5,6-difluoro-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-one

Base Information

• Chemical Name: 4-but-1-yn-1-yl-5,6-difluoro-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-one
• CAS No.: 214287-74-8
• Molecular Formula: C₁₃H₉F₅N₂O
• Molecular Weight: 304.219
• Mol file: 214287-74-8.mol

Synonyms:2(1H)-Quinazolinone,4-(1-butynyl)-5,6-difluoro-3,4-dihydro-4-(trifluoromethyl)- (9CI)

Chemical Property of 4-but-1-yn-1-yl-5,6-difluoro-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-one

Chemical Property:

• Vapor Pressure: 0.000463mmHg at 25°C
• Boiling Point: 314.6°Cat760mmHg
• Flash Point: 144°C
• Density: 1.47g/cm³

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-but-1-yn-1-yl-5,6-difluoro-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-one

There total 5 articles about 4-but-1-yn-1-yl-5,6-difluoro-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-one 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: 57.0%

1-butynyllithium (1119-18-2) + 5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one (214288-05-8) → 4-(1-butyn-1-yl)-5,6-difluoro-3,4-dihydro-4-(trifluoromethyl)-2(1H)-quinazolinone (214287-74-8)

Guidance literature:

With boron trifluoride diethyl etherate; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1021/jm990580e

Reference yield:

o-aminotrifluoromethyl ketone (205756-47-4) → 4-(1-butyn-1-yl)-5,6-difluoro-3,4-dihydro-4-(trifluoromethyl)-2(1H)-quinazolinone (214287-74-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: tetrahydrofuran

1.2: tetrabutylammonium fluoride / tetrahydrofuran

2.1: xylene / Heating

3.1: boron trifluoride diethyl etherate / tetrahydrofuran

With boron trifluoride diethyl etherate; In tetrahydrofuran; xylene;

DOI:10.1128/aac.43.12.2893

Reference yield:

5,6-difluoro-3,4-dihydro-4-hydroxy-4-trifluoromethylquinazolin-2(1H)-one (214288-04-7) → 4-(1-butyn-1-yl)-5,6-difluoro-3,4-dihydro-4-(trifluoromethyl)-2(1H)-quinazolinone (214287-74-8)

Guidance literature:

Multi-step reaction with 2 steps

1: xylene / Heating

2: boron trifluoride diethyl etherate / tetrahydrofuran

With boron trifluoride diethyl etherate; In tetrahydrofuran; xylene;

DOI:10.1128/aac.43.12.2893

upstream raw materials:

1-butynyllithium

5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one

o-aminotrifluoromethyl ketone

5,6-difluoro-3,4-dihydro-4-hydroxy-4-trifluoromethylquinazolin-2(1H)-one