1-(4-Chlorophenyl)-2-[(4-chlorophenyl)sulfanyl]-1-ethanone

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-2-[(4-chlorophenyl)sulfanyl]-1-ethanone
• CAS No.: 33046-50-3
• Molecular Formula: C14H10 Cl2 O S
• Molecular Weight: 297.205
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80384991
• Nikkaji Number: J3.515.205I
• ChEMBL ID: CHEMBL238449
• Mol file: 33046-50-3.mol

Synonyms:33046-50-3;1-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfanyl]-1-ethanone;1-(4-Chlorophenyl)-2-((4-chlorophenyl)thio)ethanone;1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylethanone;1-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfanyl]ethan-1-one;CHEMBL238449;1-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfanyl]ethanone;DTXSID80384991;MFCD00098687;STL406741;AKOS005069908;CS-0327801;FT-0639078;J3.515.205I;3D-014;alpha-(4-Chlorophenylthio)-4'-chloroacetophenone;1-(4-chlorophenyl)-2-(4-chlorophenylthio)ethanone;J-503273;1-(4-Chlorophenyl)-2-((4-chlorophenyl)thio)ethan-1-one;1-(4-Chlorophenyl)-2-[(4-chlorophenyl)sulfanyl]-1ethanone;2-(TERT-BUTOXYCARBONYAMINO)THIAZOLE-4-CARBOXYLIC ACID

Chemical Property of 1-(4-Chlorophenyl)-2-[(4-chlorophenyl)sulfanyl]-1-ethanone

Chemical Property:

• Vapor Pressure: 7.4E-08mmHg at 25°C
• Melting Point: 112-115°
• Refractive Index: 1.645
• Boiling Point: 437.6°Cat760mmHg
• Flash Point: 218.4°C
• PSA: 42.37000
• Density: 1.37g/cm³
• LogP: 4.96840
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 295.9829415
• Heavy Atom Count: 18
• Complexity: 269

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-Chlorophenyl)-2-((4-chlorophenyl)thio)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CSC2=CC=C(C=C2)Cl)Cl

Technology Process of 1-(4-Chlorophenyl)-2-[(4-chlorophenyl)sulfanyl]-1-ethanone

There total 4 articles about 1-(4-Chlorophenyl)-2-[(4-chlorophenyl)sulfanyl]-1-ethanone 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: 88.0%

p-Chlorothiophenol (106-54-7) + 4-chlorobenzoylmethyl bromide (536-38-9) → 1-(4-chlorophenyl)-2-((4-chlorophenyl)thio)ethanone (33046-50-3)

Guidance literature:

With potassium carbonate; In butanone; Heating;

DOI:10.1016/j.bmc.2007.08.016

Reference yield: 80.0%

1-(1-azidovinyl)-4-chlorobenzene + p-Chlorothiophenol (106-54-7) → 1-(4-chlorophenyl)-2-((4-chlorophenyl)thio)ethanone (33046-50-3)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In methanol; at 20 ℃; for 1h; Electrolysis; Green chemistry;

DOI:10.1055/a-1335-7902

Reference yield:

4-n-chlorophenylacetylene (873-73-4) → 1-(4-chlorophenyl)-2-((4-chlorophenyl)thio)ethanone (33046-50-3)

Guidance literature:

Multi-step reaction with 2 steps

1: trimethylsilylazide; silver carbonate; water / dimethyl sulfoxide / 80 °C

2: tetra-(n-butyl)ammonium iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene / methanol / 1 h / 20 °C / Electrolysis; Green chemistry

With trimethylsilylazide; water; tetra-(n-butyl)ammonium iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene; silver carbonate; In methanol; dimethyl sulfoxide;

DOI:10.1055/a-1335-7902

upstream raw materials:

p-Chlorothiophenol

4-chlorobenzoylmethyl bromide

4-n-chlorophenylacetylene

Downstream raw materials:

4-(4-chloro-phenyl)-5-(4-chloro-phenylsulfanyl)-3H-thiazol-2-one

1-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfanyl]-1-ethanone N-(Z)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfanyl]ethylidenehydrazone

C₂₀H₁₂Cl₃NS

C₂₀H₁₃Cl₂NS

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