(4-Chlorophenylthio)acetone

Base Information

• Chemical Name: (4-Chlorophenylthio)acetone
• CAS No.: 25784-83-2
• Molecular Formula: C9H9ClOS
• Molecular Weight: 200.689
• Hs Code.: 2930909090
• European Community (EC) Number: 607-811-4
• NSC Number: 274960
• DSSTox Substance ID: DTXSID10313698
• Nikkaji Number: J410.634B
• Wikidata: Q82064889
• Mol file: 25784-83-2.mol

Synonyms:(4-Chlorophenylthio)acetone;25784-83-2;(4-chlorophenylthio)propan-2-one;1-(4-chlorophenyl)sulfanylpropan-2-one;1-((4-Chlorophenyl)thio)propan-2-one;1-(4-chlorophenylthio)propan-2-one;1-[(4-Chlorophenyl)thio)-2-propanone;1-[(4-Chlorophenyl)thio]-2-propanone;1-[(4-Chlorophenyl)thio}-2-propanone;NSC274960;2-Propanone,1-[(4-chlorophenyl)thio]-;1-[(4-chlorophenyl)sulfanyl]propan-2-one;4-Chlorothiophenoxyacetone;(4-chlorophenylthio)propanone;AMY788;SCHEMBL1251803;1-[(4-chlorophenyl)thio]acetone;DTXSID10313698;(4-Chlorophenylthio)acetone, 97%;1-[(4-chlorophenyl)thio]-acetone;.alpha.-(p-Chlorophenylthio)acetone;MFCD00013644;AKOS005199261;NSC 274960;NSC-274960;(4-chlorophenyl)thiomethyl methyl ketone;1-[(4-chlorophenyl)-thio]-2-propanone;1-(4-Chloro-phenylsulfanyl)-propan-2-one;CS-0272162;FT-0604760;E83849;EN300-394827;A818013;J-016129

Chemical Property of (4-Chlorophenylthio)acetone

Chemical Property:

• Appearance/Colour: White to yellow powder, crystals or crystalline powder and/or chunks
• Vapor Pressure: 0.00249mmHg at 25°C
• Melting Point: 38-42 °C(lit.)
• Refractive Index: 1.577
• Boiling Point: 287.4 °C at 760 mmHg
• Flash Point: 127.6 °C
• PSA: 42.37000
• Density: 1.24 g/cm³
• LogP: 3.02110
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.0062638
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

99.9% ^*data from raw suppliers

1-(4-Chlorophenylthio)propan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-37/38-41
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)CSC1=CC=C(C=C1)Cl

Technology Process of (4-Chlorophenylthio)acetone

There total 11 articles about (4-Chlorophenylthio)acetone 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: 95.7%

→ (p-chlorophenylthio)acetone (25784-83-2)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 0.5h;

In acetone; for 2h; Reflux;

Reference yield: 92.0%

C7H7ClN2S*ClH + acetylacetone (123-54-6,81235-32-7) → (p-chlorophenylthio)acetone (25784-83-2)

Guidance literature:

C₇H₇ClN₂S*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: 86.0%

4,4'-dichlorodiphenyl disulfide (1142-19-4) + 1-bromoacetone (598-31-2) → (p-chlorophenylthio)acetone (25784-83-2)

Guidance literature:

With [{Ti(salophen)H₂O}₂O][OSO₂C₄F₉]₂; zinc; In tetrahydrofuran; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.tet.2019.130750

upstream raw materials:

p-Chlorothiophenol

1-bromoacetone

chloroacetone

sodium p-chlorothiophenolate

Downstream raw materials:

5-chloro-3-methylbenzo(b)thiophene

5-chloro-3-methyl-2-phenylbenzothiophen

1-(4-chlorophenylsulfinyl)hex-5-en-2-one

1-(4-chlorophenylsulfinyl)nonan-2-one

Refernces

• 1、 Wang, Lingxiao,Qiao, Jie,Wei, Jiancong,Liang, Zhiwu,Xu, Xinhua,Li, Ningbo. "Air-stable binuclear Titanium(IV) salophen perfluorobutanesulfonate with zinc power catalytic system and its application to C–S and C–Se bond formation". . . Retrieved 2020/01/08.
• 2、 Devi, Namita,Sarma, Kuladip,Rahaman, Rajjakfur,Barman, Pranjit. "Synthesis of a new series of Ni(II), Cu(II), Co(II) and Pd(II) complexes with an ONS donor Schiff base: Crystal structure, DFT study and catalytic investigation of palladium and nickel complexes towards deacylative sulfenylation of active methylenes and regioselective 3-sulfenylation of indoles: Via thiouronium salt formation". . p. 4583 - 4595. Retrieved 2018/04/03.