o-Ethyl s-[2-(3-nitrophenyl)-2-oxoethyl] carbonodithioate

Base Information

• Chemical Name: o-Ethyl s-[2-(3-nitrophenyl)-2-oxoethyl] carbonodithioate
• CAS No.: 73709-51-0
• Molecular Formula: C11H11NO4S2
• Molecular Weight: 285.345
• NSC Number: 107826
• DSSTox Substance ID: DTXSID40994570
• Wikidata: Q82985559

Synonyms:73709-51-0;NSC107826;o-ethyl s-[2-(3-nitrophenyl)-2-oxoethyl] carbonodithioate;DTXSID40994570;NSC-107826

Chemical Property of o-Ethyl s-[2-(3-nitrophenyl)-2-oxoethyl] carbonodithioate

Chemical Property:

• Vapor Pressure: 8.2E-07mmHg at 25°C
• Boiling Point: 406.3°Cat760mmHg
• Flash Point: 199.5°C
• Density: 1.374g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 285.01295018
• Heavy Atom Count: 18
• Complexity: 330

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=S)SCC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Technology Process of o-Ethyl s-[2-(3-nitrophenyl)-2-oxoethyl] carbonodithioate

There total 2 articles about o-Ethyl s-[2-(3-nitrophenyl)-2-oxoethyl] carbonodithioate 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: 36.0%

2-diazo-1-(3-nitrophenyl)ethanone (7023-81-6) + potassium ethyl xanthogenate (140-89-6) → O-ethyl S-[2-(3-nitrophenyl)-2-oxoethyl] carbonodithioate (73709-51-0)

Guidance literature:

2-diazo-1-(3-nitrophenyl)ethanone; With toluene-4-sulfonic acid; In dichloromethane; at 20 ℃;

potassium ethyl xanthogenate; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1055/a-1513-9968

Reference yield:

→ O-ethyl S-[2-(3-nitrophenyl)-2-oxoethyl] carbonodithioate (73709-51-0)

Guidance literature:

entspr. Keton, entspr. Xanthogenat 2;

Reference yield: 73.0%

O-ethyl S-[2-(3-nitrophenyl)-2-oxoethyl] carbonodithioate (73709-51-0) + 2,N-dimethyl-N-benzylpropenamide (65719-75-7) → 1,3-dimethyl-3-(3-(3-nitrophenyl)-3-oxopropyl)indolin-2-one

Guidance literature:

With dilauryl peroxide; at 84 ℃; for 12h;

DOI:10.1016/j.tet.2015.01.049

upstream raw materials:

2-diazo-1-(3-nitrophenyl)ethanone

potassium ethyl xanthogenate

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