6-(4-FLUOROPHENYL)-3,4-DIHYDROTHIENO[3,2-D]-PYRIMIDIN-4-ONE

Base Information

• Chemical Name: 6-(4-FLUOROPHENYL)-3,4-DIHYDROTHIENO[3,2-D]-PYRIMIDIN-4-ONE
• CAS No.: 215928-68-0
• Molecular Formula: C12H7FN2OS
• Molecular Weight: 246.26
• Hs Code.: 2934999090
• Mol file: 215928-68-0.mol

Synonyms:BUTTPARK 46\18-87;6-(4-FLUOROPHENYL)THIENO[3,2-D]PYRIMIDIN-4(3H)-ONE;6-(4-FLUOROPHENYL)-3,4-DIHYDROTHIENO[3,2-D]-PYRIMIDIN-4-ONE

Chemical Property of 6-(4-FLUOROPHENYL)-3,4-DIHYDROTHIENO[3,2-D]-PYRIMIDIN-4-ONE

Chemical Property:

• Melting Point: >225°C
• Boiling Point: 492.4±35.0 °C(Predicted)
• PKA: 4.91±0.20(Predicted)
• PSA: 73.99000
• Density: 1.49±0.1 g/cm3(Predicted)
• LogP: 2.79070

Purity/Quality:

99% ^*data from raw suppliers

6-(4-Fluorophenyl)-3,4-dihydrothieno[3,2-d]-pyrimidin-4-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6-(4-FLUOROPHENYL)-3,4-DIHYDROTHIENO[3,2-D]-PYRIMIDIN-4-ONE

There total 3 articles about 6-(4-FLUOROPHENYL)-3,4-DIHYDROTHIENO[3,2-D]-PYRIMIDIN-4-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: 81.0%

formamide (77287-34-4,77287-35-5,60100-09-6) + 5-(4-fluorophenyl)-3-aminothiophene-2-carboxylic acid methyl ester (175137-08-3) → 6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4(3H)-one (215928-68-0)

Guidance literature:

at 180 ℃; for 18h;

DOI:10.1021/acs.jmedchem.8b01391

Reference yield:

1-(4-fluorophenyl)ethanone (403-42-9) → 6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4(3H)-one (215928-68-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: trichlorophosphate; N,N-dimethyl-formamide / N,N-dimethyl-formamide

2.1: sodium methylate / methanol / 1 h

2.2: 5 h / 60 °C

3.1: 18 h / 180 °C

With sodium methylate; N,N-dimethyl-formamide; trichlorophosphate; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.8b01391

Reference yield:

3-chloro-3-(4-fluorophenyl)acrylonitrile (205984-77-6) → 6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4(3H)-one (215928-68-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium methylate / methanol / 1 h

1.2: 5 h / 60 °C

2.1: 18 h / 180 °C

With sodium methylate; In methanol;

DOI:10.1021/acs.jmedchem.8b01391

upstream raw materials:

formamide

5-(4-fluorophenyl)-3-aminothiophene-2-carboxylic acid methyl ester

1-(4-fluorophenyl)ethanone

3-chloro-3-(4-fluorophenyl)acrylonitrile

Downstream raw materials:

4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine

7-(3,4-dimethoxy-phenyl)-6-(4-fluoro-phenyl)-3H-thieno[3,2-d]pyrimidin-4-one

6-(4-fluoro-phenyl)-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one

6-(4-fluoro-phenyl)-7-methyl-3H-thieno[3,2-d]pyrimidin-4-one