N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide

Base Information

• Chemical Name: N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
• CAS No.: 18226-11-4
• Molecular Formula: C8H10 N2 O5 S
• Molecular Weight: 246.244
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID00389241
• Wikidata: Q82184824
• Mol file: 18226-11-4.mol

Synonyms:N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide;18226-11-4;Benzenesulfonamide, N-(2-hydroxyethyl)-2-nitro-;N-(2-Hydroxy-ethyl)-2-nitro-benzenesulfonamide;Oprea1_081361;Oprea1_450711;CBDivE_006532;SCHEMBL454129;DTXSID00389241;UUFFUHLKZMSVPW-UHFFFAOYSA-N;MFCD00458943;STK395825;AKOS000668622;EC-0742;CS-0035861;FT-0680966;EN300-311952;N-(2-Hydroxyethyl)-2-nitrobenzene sulfonamide;W12839;2-hydroxy-S-(2-nitrophenyl)ethane-1-sulfonamido;N-(2-hydroxyethyl)-2-nitrobenzene-1-sulfonamide;A880913;J-522928;Z275164272

Chemical Property of N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide

Chemical Property:

• Melting Point: 83-85°
• Boiling Point: 462.2±55.0 °C(Predicted)
• PKA: 9.78±0.40(Predicted)
• PSA: 120.60000
• Density: 1.484±0.06 g/cm3(Predicted)
• LogP: 1.86030
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 246.03104260
• Heavy Atom Count: 16
• Complexity: 331

Purity/Quality:

98%min ^*data from raw suppliers

N-(2-Hydroxyethyl)-2-nitrobenzenesulfonamide >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide

There total 3 articles about N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide 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%

ethanolamine (141-43-5) + 2-Nitrobenzenesulfonyl chloride (1694-92-4) → N-(2-hydroxy-ethyl)-2-nitro-benzenesulfonamide (18226-11-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2012.02.071

Reference yield:

1,1'-[9-(2-Aminoethyl)-9H-carbazole-3,6-diyl]diethanone → N-(2-hydroxy-ethyl)-2-nitro-benzenesulfonamide (18226-11-4)

Guidance literature:

With sodium hydrogencarbonate; In [⁽²⁾H₆]acetone; dichloromethane;

Reference yield:

→ N-(2-hydroxy-ethyl)-2-nitro-benzenesulfonamide (18226-11-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 2h;

upstream raw materials:

ethanolamine

2-Nitrobenzenesulfonyl chloride

Downstream raw materials:

acetic acid 2-(2-nitro-benzenesulfonylamino)-ethyl ester

N-(2-tert-butoxyethyl)-2-nitrobenzenesulfonamide

Refernces

• 1、 Miki, Koji,Kojima, Kentaro,Oride, Kazuaki,Harada, Hiroshi,Morinibu, Akiyo,Ohe, Kouichi. "PH-Responsive near-infrared fluorescent cyanine dyes for molecular imaging based on pH sensing". supporting information. p. 7792 - 7795. Retrieved 2017/07/15.
• 2、 -. "Carbazole compounds and therapeutic uses of the compounds". . . Retrieved 2015/09/28.