1-[(p-Nitrophenyl)thio]-2-propanone

Base Information

• Chemical Name: 1-[(p-Nitrophenyl)thio]-2-propanone
• CAS No.: 25784-85-4
• Molecular Formula: C9H9 N O3 S
• Molecular Weight: 211.241
• Hs Code.: 2930909090
• Mol file: 25784-85-4.mol

Synonyms:2-Propanone,1-[(p-nitrophenyl)thio]- (8CI); (4-Nitrophenylthio)-2-propanone;1-[(4-Nitrophenyl)thio]-2-propanone; 2-Oxopropyl 4-nitrophenyl sulfide

Chemical Property of 1-[(p-Nitrophenyl)thio]-2-propanone

Chemical Property:

• Vapor Pressure: 5.57E-05mmHg at 25°C
• Boiling Point: 346.9°Cat760mmHg
• Flash Point: 163.6°C
• PSA: 88.19000
• Density: 1.3g/cm³
• LogP: 2.79910

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-[(p-Nitrophenyl)thio]-2-propanone

There total 7 articles about 1-[(p-Nitrophenyl)thio]-2-propanone 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%

chloroacetone (78-95-5) + para-nitrobenzenethiol (1849-36-1) → 1-((4-nitrophenyl)thio)propan-2-one (25784-85-4)

Guidance literature:

With potassium carbonate; In acetone; for 5h; Reflux;

DOI:10.1016/j.ejmech.2017.01.006

Reference yield: 87.0%

C7H7N3O2S*ClH + acetylacetone (123-54-6,81235-32-7) → 1-((4-nitrophenyl)thio)propan-2-one (25784-85-4)

Guidance literature:

C₇H₇N₃O₂S*ClH; With C₂₀H₁₄BrCl₂NOPdS*0.5CH₂Cl₂; In water; acetonitrile; at 60 ℃; for 0.0833333h; Reflux;

acetylacetone; In water; acetonitrile; at 60 ℃; regioselective reaction;

DOI:10.1039/c7dt04635a

Reference yield:

4-chlorobenzonitrile (100-00-5) → 1-((4-nitrophenyl)thio)propan-2-one (25784-85-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ethanol / 1 h / Reflux

2.1: C₂₀H₁₄BrCl₂NOPdS*0.5CH₂Cl₂ / water; acetonitrile / 0.08 h / 60 °C / Reflux

2.2: 60 °C

With C₂₀H₁₄BrCl₂NOPdS*0.5CH₂Cl₂; In ethanol; water; acetonitrile;

DOI:10.1039/c7dt04635a

upstream raw materials:

4-nitrobenzenesulfenyl chloride

acetone

chloroacetone

para-nitrobenzenethiol

Downstream raw materials:

1-(4-nitrophenylsulfonyl)-2-propanone

3-Methyl-5-nitro-benzothiophen

(S)-1-(4-nitrophenyl)thiopropan-2-ol

Refernces

• 1、 El-Gamal, Mohammed I.,Khan, Mohammad Ashrafuddin,Tarazi, Hamadeh,Abdel-Maksoud, Mohammed S.,Gamal El-Din, Mahmoud M.,Yoo, Kyung Ho,Oh, Chang-Hyun. "Design and synthesis of new RAF kinase-inhibiting antiproliferative quinoline derivatives. Part 2: Diarylurea derivatives". . p. 413 - 423. Retrieved 2017/01/13.
• 2、 -. "Aromatic sulfonyl alpha-hydroxy hydroxamic acid compounds". Example 14. . Retrieved 2010/01/31.