Ukt5M3GU4F

Base Information

• Chemical Name: Ukt5M3GU4F
• CAS No.: 500169-73-3
• Molecular Formula: C₂₅H₂₁NO₂S
• Molecular Weight: 399.513
• UNII: UKT5M3GU4F
• Nikkaji Number: J2.014.475K
• ChEMBL ID: CHEMBL105678
• Mol file: 500169-73-3.mol

Synonyms:UKT5M3GU4F;nu7279;nu-7279;UNII-UKT5M3GU4F;CHEMBL105678;2-(Morpholin-4-yl)-6-(4-(naphthalen-1-yl)phenyl)-4H-thiopyran-4-one;4H-Thiopyran-4-one, 2-(4-morpholinyl)-6-(4-(1-naphthalenyl)phenyl)-;500169-73-3;BDBM50132371;2-Morpholino-6-[4-(1-naphthyl)phenyl]-4H-thiopyran-4-one;2-Morpholin-4-yl-6-(4-naphthalen-1-yl-phenyl)-thiopyran-4-one;2-morpholino-6-(4-(naphthalen-1-yl)phenyl)-4H-thiopyran-4-one

Chemical Property of Ukt5M3GU4F

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 399.12930009
• Heavy Atom Count: 29
• Complexity: 658

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1COCCN1C2=CC(=O)C=C(S2)C3=CC=C(C=C3)C4=CC=CC5=CC=CC=C54

Technology Process of Ukt5M3GU4F

There total 7 articles about Ukt5M3GU4F 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: 12.0%

1-Naphthylboronic acid (13922-41-3) + 2-(4-bromo-phenyl)-6-morpholin-4-yl-thiopyran-4-one (500169-21-1) → 2-morpholin-4-yl-6-(4-naphthalen-1-yl-phenyl)-thiopyran-4-one (500169-73-3)

Guidance literature:

With potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; at 90 ℃; for 36h;

DOI:10.1021/jm061121y

Reference yield:

6-(4-bromophenyl)-2-ethylsulfanyl-4H-thiopyran-4-one (500169-92-6) → 2-morpholin-4-yl-6-(4-naphthalen-1-yl-phenyl)-thiopyran-4-one (500169-73-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 42 percent / ethane-1,2-diol / 72 h / 100 - 125 °C

2: 12 percent / K₂CO₃ / Pd(PPh₃)4 / dioxane / 36 h / 90 °C

With potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; ethylene glycol; 2: Suzuki-Miyaura coupling;

DOI:10.1021/jm061121y

Reference yield:

6-(4-bromophenyl)-2-mercapto-4H-thiopyran-4-one (500169-91-5) → 2-morpholin-4-yl-6-(4-naphthalen-1-yl-phenyl)-thiopyran-4-one (500169-73-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 88 percent / K₂CO₃ / acetone / 2 h / Heating

2: 42 percent / ethane-1,2-diol / 72 h / 100 - 125 °C

3: 12 percent / K₂CO₃ / Pd(PPh₃)4 / dioxane / 36 h / 90 °C

With potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; ethylene glycol; acetone; 3: Suzuki-Miyaura coupling;

DOI:10.1021/jm061121y

upstream raw materials:

1-Naphthylboronic acid

2-(4-bromo-phenyl)-6-morpholin-4-yl-thiopyran-4-one

1-(p-bromophenyl)-1,3-butanedione

para-bromoacetophenone