Methyl 2-(2-nitrophenylsulfonyl)acetate

Base Information

• Chemical Name: Methyl 2-(2-nitrophenylsulfonyl)acetate
• CAS No.: 27489-28-7
• Molecular Formula: C9H9NO6S
• Molecular Weight: 259.24
• DSSTox Substance ID: DTXSID40879777
• Nikkaji Number: J696.271H
• Wikidata: Q82861898
• Mol file: 27489-28-7.mol

Synonyms:27489-28-7;Methyl 2-(2-nitrophenylsulfonyl)acetate;(2-Nitrophenyl)sulfonyl acetic acid methyl ester;methyl [(2-nitrophenyl)sulfonyl]acetate;DTXSID40879777;MFCD02976124;STL133454;AKOS003634269;2-Nitrophenylsulfonyl-acetic acid, methyl ester;2-(2-Nitrophenylsulfonyl)acetic acid methyl ester

Chemical Property of Methyl 2-(2-nitrophenylsulfonyl)acetate

Chemical Property:

• Melting Point: 119-120 °C
• Boiling Point: 462.6±45.0 °C(Predicted)
• PSA: 114.64000
• Density: 1.443±0.06 g/cm3(Predicted)
• LogP: 2.14550
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 259.01505818
• Heavy Atom Count: 17
• Complexity: 393

Purity/Quality:

METHYL 2-(2-NITROPHENYLSULFONYL)ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-(2-nitrophenylsulfonyl)acetate

There total 3 articles about Methyl 2-(2-nitrophenylsulfonyl)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:

methyl 2-((2-nitrophenyl)thio)acetate (50693-98-6) → methyl 2-(2-nitrophenylsulfonyl)acetate (27489-28-7)

Guidance literature:

With potassium permanganate; In acetic acid;

DOI:10.1139/v67-162

Reference yield:

methanol (67-56-1) + <(2-Nitro-phenyl)sulfonyl>essigsaeure (27489-27-6) → methyl 2-(2-nitrophenylsulfonyl)acetate (27489-28-7)

Guidance literature:

acid; at 30 ℃; Rate constant; other temperature: 40 deg C;

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + <(2-Nitro-phenyl)sulfonyl>essigsaeure (27489-27-6) → methyl 2-(2-nitrophenylsulfonyl)acetate (27489-28-7)

Guidance literature:

upstream raw materials:

methanol

<(2-Nitro-phenyl)sulfonyl>essigsaeure

methyl 2-((2-nitrophenyl)thio)acetate

diazomethane

Downstream raw materials:

1-(methylsulfonyl)-2-nitrobenzene

2,4-Bis-(2-nitro-phenylsulfonyl)-3-(4-chlor-phenyl)-glutarsaeure-dimethylester

2-(4-Nitro-phenylsulfonyl)-5-phenyl-penta-2,4-dien-carbonsaeure-methylester

o-Nitrophenylsulfonylacethydrazid