Ethyl 2-(4-chlorophenylsulfinyl)acetate

Base Information

• Chemical Name: Ethyl 2-(4-chlorophenylsulfinyl)acetate
• CAS No.: 91077-12-2
• Molecular Formula: C₁₀H₁₁ClO₃S
• Molecular Weight: 246.715
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID50524105
• Mol file: 91077-12-2.mol

Synonyms:91077-12-2;Ethyl 2-(4-chlorophenylsulfinyl)acetate;Ethyl 2-((4-chlorophenyl)sulfinyl)acetate;ethyl 2-(4-chlorophenyl)sulfinylacetate;AC-7930;DTXSID50524105;4-thiadiazole,2-amino-5-pentyl-3;AKOS010556709;Ethyl2-((4-chlorophenyl)sulfinyl)acetate;WS-02268;Ethyl (4-chlorobenzene-1-sulfinyl)acetate;D85843;ETHYL [(4-CHLOROPHENYL)SULFINYL]ACETATE;A916498

Chemical Property of Ethyl 2-(4-chlorophenylsulfinyl)acetate

Chemical Property:

• Vapor Pressure: 4.22E-06mmHg at 25°C
• Refractive Index: 1.587
• Boiling Point: 384 °C at 760 mmHg
• Flash Point: 186 °C
• PSA: 62.58000
• Density: 1.36 g/cm³
• LogP: 2.87640
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 246.0117431
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-((4-chlorophenyl)sulfinyl)acetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-(4-chlorophenylsulfinyl)acetate

There total 2 articles about Ethyl 2-(4-chlorophenylsulfinyl)acetate 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: 96.0%

ethyl 2-(p-chlorophenylthio)acetate (52377-68-1) → ethyl 2-(p-chlorophenylsulfinyl)acetate (91077-12-2,135248-73-6)

Guidance literature:

With sodium periodate; In methanol; water; for 24h; Ambient temperature;

DOI:10.1246/bcsj.57.729

Reference yield:

ethyl bromoacetate (105-36-2) + p-Chlorothiophenol (106-54-7) → ethyl 2-(p-chlorophenylsulfinyl)acetate (91077-12-2,135248-73-6)

Guidance literature:

With dihydrogen peroxide;

DOI:10.1002/rcm.5033

Reference yield: 91.0%

3-phenyl-propionaldehyde (104-53-0) + ethyl 2-(p-chlorophenylsulfinyl)acetate (91077-12-2,135248-73-6) → ethyl 4-hydroxy-5-phenylpent-2-enoate

Guidance literature:

With piperidine; In acetonitrile; at 20 ℃; for 10h;

DOI:10.1016/j.tet.2012.01.057

upstream raw materials:

ethyl 2-(p-chlorophenylthio)acetate

ethyl bromoacetate

p-Chlorothiophenol

Downstream raw materials:

ethyl (2E)-2-(p-chlorophenylsulfinyl)-2-decenoate

ethyl (2E)-2-(p-chlorophenylsulfinyl)-2-hexenoate

ethyl 2-(4-chlorobenzenesulfinyl)-5-phenylpent-2-enoate

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