[(3-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate

Base Information

• Chemical Name: [(3-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate
• CAS No.: 22974-35-2
• Molecular Formula: C12H18 N2 O8 S2
• Molecular Weight: 382.416
• NSC Number: 100774
• DSSTox Substance ID: DTXSID60295253
• Wikidata: Q82035074
• ChEMBL ID: CHEMBL3247498
• Mol file: 22974-35-2.mol

Synonyms:22974-35-2;[(3-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate;NSC100774;CHEMBL3247498;DTXSID60295253;NSC-100774;Ethanol,2'-[(m-nitrophenyl)imino]di-, dimethanesulfonate ester;Ethanol,2'-[(3-nitrophenyl)imino]bis-, dimethanesulfonate ester

Chemical Property of [(3-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate

Chemical Property:

• Vapor Pressure: 2.25E-16mmHg at 25°C
• Refractive Index: 1.571
• Boiling Point: 642°C at 760 mmHg
• Flash Point: 342.1°C
• Density: 1.47g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 382.05045788
• Heavy Atom Count: 24
• Complexity: 564

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC(=CC=C1)[N+](=O)[O-]

Technology Process of [(3-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate

There total 2 articles about [(3-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate 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%

3-[N,N-Bis(2-hydroxyethyl)amino]nitrobenzene (24812-82-6) + methanesulfonyl chloride (124-63-0) → N,N-bis(2-(methylsulfonyloxy)ethyl)-3-nitroaniline (22974-35-2)

Guidance literature:

With triethylamine; In dichloromethane; for 0.166667h; Cooling with ice;

Reference yield:

3-nitro-aniline (99-09-2) → N,N-bis(2-(methylsulfonyloxy)ethyl)-3-nitroaniline (22974-35-2)

Guidance literature:

Multi-step reaction with 2 steps

1: calcium carbonate; potassium iodide / water / 8 h / Reflux

2: triethylamine / ethyl acetate / 1 h / 20 °C

With triethylamine; calcium carbonate; potassium iodide; In water; ethyl acetate;

DOI:10.1016/j.bmcl.2010.12.052

Reference yield: 92.0%

N,N-bis(2-(methylsulfonyloxy)ethyl)-3-nitroaniline (22974-35-2) → N,N-di(2-chloroethyl)-3-nitrobenzeneamine (24813-13-6)

Guidance literature:

With lithium chloride; In N,N-dimethyl-formamide; at 110 ℃; for 0.166667h;

upstream raw materials:

3-[N,N-Bis(2-hydroxyethyl)amino]nitrobenzene

methanesulfonyl chloride

3-nitro-aniline

Downstream raw materials:

4'-(4-nitrophenyl)spiro[indoline-1,1'-piperazin]-1-ium methanesulfonate

N,N-di(2-chloroethyl)-3-nitrobenzeneamine

N¹,N¹-bis(2-chloroethyl)benzene-1,3-diamine

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