3-(2-fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

Base Information

• Chemical Name: 3-(2-fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
• CAS No.: 23892-21-9
• Molecular Formula: C14H9FN2OS
• Molecular Weight: 272.303
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00350017
• Nikkaji Number: J3.649.658D
• Wikidata: Q82125701
• Mol file: 23892-21-9.mol

Synonyms:23892-21-9;3-(2-fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one;3-(2-Fluorophenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone;3-(2-fluorophenyl)-2-sulfanylidene-1H-quinazolin-4-one;3-(2-Fluorophenyl)-2-thioxo-2,3-dihydro-1H-quinazolin-4-one;3-(2-fluorophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one;3-(2-fluorophenyl)-2-sulfanylquinazolin-4(3H)-one;3-(2-fluorophenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one;C14H9FN2OS;Oprea1_295664;DTXSID00350017;JRHDFWPLWWDYPU-UHFFFAOYSA-N;YAA89221;MFCD00994441;STL135927;STL171671;AKOS000115862;AKOS001101861;FA-0626;CS-0307598;EN300-03053;SR-01000106623;SR-01000106623-1;Z56813486;4(3H)-quinazolinone, 3-(2-fluorophenyl)-2-mercapto-;F0150-0100

Chemical Property of 3-(2-fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

Chemical Property:

• Melting Point: 274～276℃
• PSA: 69.88000
• LogP: 3.18740
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 272.04196225
• Heavy Atom Count: 19
• Complexity: 390

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-Fluorophenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=CC=C3F

Technology Process of 3-(2-fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

There total 6 articles about 3-(2-fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(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: 92.0%

o-fluorophenyl isothiocyanate (38985-64-7) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 3?(2?fluorophenyl)?2?thioxo?2,3?dihydroquinazolin?4(1H)?one (23892-21-9)

Guidance literature:

With triethylamine; In ethanol; for 3h; Reflux;

DOI:10.1002/chem.201905219

Reference yield:

C15H13FN2O2S → 3?(2?fluorophenyl)?2?thioxo?2,3?dihydroquinazolin?4(1H)?one (23892-21-9)

Guidance literature:

C₁₅H₁₃FN₂O₂S; With water; sodium hydroxide; In ethanol; for 2h; Reflux;

With hydrogenchloride; In water; at 20 ℃;

DOI:10.1002/ardp.201500115

Reference yield:

C7H5FNS2(1-)*Na(1+) → 3?(2?fluorophenyl)?2?thioxo?2,3?dihydroquinazolin?4(1H)?one (23892-21-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: dimethyl sulfoxide; water / 5 h / Cooling

2.1: potassium carbonate / ethanol / Reflux

3.1: water; sodium hydroxide / ethanol / 2 h / Reflux

3.2: 20 °C

With water; potassium carbonate; sodium hydroxide; In ethanol; water; dimethyl sulfoxide;

DOI:10.1002/ardp.201500115

upstream raw materials:

2-Fluoroaniline

o-fluorophenyl isothiocyanate

anthranilic acid

Downstream raw materials:

4-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

3-(2-fluoro-phenyl)-2-hydrazino-3H-quinazolin-4-one

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