2-[2-methylsulfonyloxyethyl-[(Z)-2-(4-nitrophenyl)ethenyl]amino]ethyl methanesulfonate

Base Information

• Chemical Name: 2-[2-methylsulfonyloxyethyl-[(Z)-2-(4-nitrophenyl)ethenyl]amino]ethyl methanesulfonate
• CAS No.: 18352-54-0
• Molecular Formula: C₁₄H₂₀N₂O₈S₂
• Molecular Weight: 408.453
• NSC Number: 72603
• DSSTox Substance ID: DTXSID50418217
• Wikidata: Q82228629

Synonyms:NSC72603;18352-54-0;DTXSID50418217;NSC-72603

Chemical Property of 2-[2-methylsulfonyloxyethyl-[(Z)-2-(4-nitrophenyl)ethenyl]amino]ethyl methanesulfonate

Chemical Property:

• Vapor Pressure: 1.87E-16mmHg at 25°C
• Boiling Point: 643.6°Cat760mmHg
• Flash Point: 343°C
• Density: 1.424g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 408.06610795
• Heavy Atom Count: 26
• Complexity: 627

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C=CC1=CC=C(C=C1)[N+](=O)[O-]
• Isomeric SMILES: CS(=O)(=O)OCCN(CCOS(=O)(=O)C)/C=C\C1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of 2-[2-methylsulfonyloxyethyl-[(Z)-2-(4-nitrophenyl)ethenyl]amino]ethyl methanesulfonate

There total 2 articles about 2-[2-methylsulfonyloxyethyl-[(Z)-2-(4-nitrophenyl)ethenyl]amino]ethyl methanesulfonate 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:

(4-Nitrophenyl)acetylene (937-31-5) → Methanesulfonic acid 2-{(2-methanesulfonyloxy-ethyl)-[(E)-2-(4-nitro-phenyl)-vinyl]-amino}-ethyl ester (18352-54-0)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylformamide

2: Py / CHCl₃

With pyridine; In chloroform; N,N-dimethyl-formamide;

DOI:10.1021/jm00316a040

Reference yield:

methanesulfonyl chloride (124-63-0) + 2-{(2-Hydroxy-ethyl)-[(E)-2-(4-nitro-phenyl)-vinyl]-amino}-ethanol (18352-51-7) → Methanesulfonic acid 2-{(2-methanesulfonyloxy-ethyl)-[(E)-2-(4-nitro-phenyl)-vinyl]-amino}-ethyl ester (18352-54-0)

Guidance literature:

With pyridine; In chloroform;

DOI:10.1021/jm00316a040

Reference yield:

Methanesulfonic acid 2-{(2-methanesulfonyloxy-ethyl)-[(E)-2-(4-nitro-phenyl)-vinyl]-amino}-ethyl ester (18352-54-0) → Bis-(2-chloro-ethyl)-[(E)-2-(4-nitro-phenyl)-vinyl]-amine (18352-57-3)

Guidance literature:

With lithium chloride; In N,N-dimethyl-formamide;

DOI:10.1021/jm00316a040

upstream raw materials:

methanesulfonyl chloride

2-{(2-Hydroxy-ethyl)-[(E)-2-(4-nitro-phenyl)-vinyl]-amino}-ethanol

(4-Nitrophenyl)acetylene

Downstream raw materials:

Bis-(2-chloro-ethyl)-[(E)-2-(4-nitro-phenyl)-vinyl]-amine

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