4-(4-Chlorophenyl)thiomorpholine 1,1-Dioxide

Base Information

• Chemical Name: 4-(4-Chlorophenyl)thiomorpholine 1,1-Dioxide
• CAS No.: 82222-74-0
• Molecular Formula: C10H12ClNO2S
• Molecular Weight: 245.73
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50513296
• Nikkaji Number: J2.799.986G
• Mol file: 82222-74-0.mol

Synonyms:4-(4-Chlorophenyl)thiomorpholine 1,1-Dioxide;82222-74-0;4-(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide;SCHEMBL12551114;DTXSID50513296;AMY20749;MFCD07366283;AKOS015961421;trans-4-Hydroxy-D-proline?hydrochloride;AC-13753;4-(1,1-Dioxothiomorpholino)phenyl Chloride;C1935;CS-0213149;FT-0641852;4-(4-Chlorophenyl)thiomorpholine-1,1-dioxide;T71362;4-(4-chlorophenyl)-1-thiomorpholine-1,1-dione;A916974;4-(4-chlorophenyl)-1lambda-thiomorpholine-1,1-dione;4-(4-Chlorophenyl)-1lambda~6~,4-thiazinane-1,1-dione

Chemical Property of 4-(4-Chlorophenyl)thiomorpholine 1,1-Dioxide

Chemical Property:

• Vapor Pressure: 3.75E-09mmHg at 25°C
• Melting Point: 142 °C
• Boiling Point: 474°C at 760 mmHg
• Flash Point: 240.5°C
• PSA: 45.76000
• Density: 1.363g/cm³
• LogP: 2.72060
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 245.0277275
• Heavy Atom Count: 15
• Complexity: 290

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Chlorophenyl)thiomorpholine 1,1-Dioxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)(=O)CCN1C2=CC=C(C=C2)Cl

Technology Process of 4-(4-Chlorophenyl)thiomorpholine 1,1-Dioxide

There total 3 articles about 4-(4-Chlorophenyl)thiomorpholine 1,1-Dioxide 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%

Divinyl sulfone (77-77-0) + 4-chloro-aniline (106-47-8) → 4-(4-chlorophenyl)-thiomorpholine 1,1-dioxide (82222-74-0)

Guidance literature:

With boric acid; glycerol; In water; at 100 ℃; for 18h; Green chemistry;

DOI:10.1080/00397911.2011.594930

Reference yield: 35.0%

Divinyl sulfone (77-77-0) + 4-chlorobenzonitrile (100-00-5) → 4-(4-chlorophenyl)-thiomorpholine 1,1-dioxide (82222-74-0)

Guidance literature:

With indium; ammonium chloride; acetic acid; In methanol; water; for 24h; Inert atmosphere; Reflux;

DOI:10.3987/COM-09-11858

Reference yield:

Divinyl sulfone (77-77-0) + 4-chloro-aniline (106-47-8) → (4-Chloro-phenyl)-(2-ethanesulfonyl-ethyl)-amine + 4-(4-chlorophenyl)-thiomorpholine 1,1-dioxide (82222-74-0)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate; mercury(II) diacetate; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) THF, 8 h, 2.) THF, 24 h;

DOI:10.1055/s-1982-29820

upstream raw materials:

Divinyl sulfone

4-chloro-aniline

4-chlorobenzonitrile

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