Ethanol, 2-[(3-nitrophenyl)sulfonyl]-

Base Information

• Chemical Name: Ethanol, 2-[(3-nitrophenyl)sulfonyl]-
• CAS No.: 41687-30-3
• Molecular Formula: C8H9NO5S
• Molecular Weight: 231.229
• Hs Code.: 2906299090
• European Community (EC) Number: 255-501-9
• DSSTox Substance ID: DTXSID2068343
• Nikkaji Number: J64.468D
• Wikidata: Q72495805
• Mol file: 41687-30-3.mol

Synonyms:41687-30-3;2-(3-Nitrophenylsulfonyl)ethanol;2-(3-nitrophenyl)sulfonylethanol;Ethanol, 2-[(3-nitrophenyl)sulfonyl]-;2-((3-Nitrophenyl)sulfonyl)ethanol;EINECS 255-501-9;2-((3-Nitrophenyl)sulphonyl)ethanol;2-[(3-Nitrophenyl)sulphonyl]ethanol;Ethanol, 2-((3-nitrophenyl)sulfonyl)-;EC 255-501-9;2-[(3-Nitrophenyl)sulfonyl]ethanol;SCHEMBL854154;DTXSID2068343;2-(m-nitrobenzenesulfonyl)ethanol;2-(3-nitrobenzenesulfonyl)ethanol;2-(3-nitrobenzenesulfonyl) ethanol;2-(3-nitro-phenylsulfonyl)-ethanol;2-(3-nitrobenzenesulfonyl)ethan-1-ol;AKOS015912981;2-(3-Nitrophenylsulfonyl)ethanol, 97%;3-(beta-hydroxyethyl-sulfonyl)nitrobenzene;3-[(2-hydroxyethyl)sulfonyl]-nitrobenzene;W-110960

Chemical Property of Ethanol, 2-[(3-nitrophenyl)sulfonyl]-

Chemical Property:

• Vapor Pressure: 7.63E-10mmHg at 25°C
• Melting Point: 76-78 °C
• Refractive Index: 1.581
• Boiling Point: 475.4 °C at 760 mmHg
• Flash Point: 241.3 °C
• PSA: 108.57000
• Density: 1.472 g/cm³
• LogP: 1.96480
• Storage Temp.: room temp
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 231.02014356
• Heavy Atom Count: 15
• Complexity: 315

Purity/Quality:

99.9% ^*data from raw suppliers

2-(3-Nitrophenylsulfonyl)ethanol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Ethanol, 2-[(3-nitrophenyl)sulfonyl]-

There total 9 articles about Ethanol, 2-[(3-nitrophenyl)sulfonyl]- 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: 95.0%

oxirane (75-21-8,99932-75-9) + sodium 3-nitrobenzenesulfinate (15898-46-1) → 3-(β-hydroxyethylsulfonyl)nitrobenzene (41687-30-3)

Guidance literature:

With sulfuric acid; at 70 ℃; for 20h; pH=7.2; Temperature; pH-value; Large scale;

Reference yield: 30.0%

2-(phenylsulfonyl)ethanol (20611-21-6) → 3-(β-hydroxyethylsulfonyl)nitrobenzene (41687-30-3)

Guidance literature:

With sulfuric acid; potassium nitrate; at 90 ℃; for 2h;

Reference yield:

oxirane (75-21-8,99932-75-9) + 3-nitrobenzenesulfinic acid (13257-95-9) → 3-(β-hydroxyethylsulfonyl)nitrobenzene (41687-30-3)

Guidance literature:

With sodium phosphate; at 70 - 75 ℃; for 6h; pH=7 - 7.5; Temperature; Inert atmosphere;

upstream raw materials:

2-(phenylsulfonyl)ethanol

1,2-bis-(3-nitro-benzenesulfonyl)-ethane

2-(3-nitro-phenylsulfanyl)-ethanol

oxirane

Downstream raw materials:

2-(3-Nitro-benzolsulfonyl)-ethanol-tosylat

3-[(2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)sulfonyl]nitrobenzene

2-(3-hydroxyaminobenzenesulfonyl)ethanol

3-chlorosulfonylbenzoic acid 2-(3-nitrobenzenesulfonyl)ethyl ester

Refernces

• 1、 -. "Preparation method of meta-ester and meta-ester (by machine translation)". Paragraph 0040; 0049-0052; 0058; 0067-0070; 0076; 0085-0088. . Retrieved 2020/06/16.
• 2、 -. "Preparation method of M-nitro - β β-hydroxyethyl sulfone (by machine translation)". Paragraph 0031; 0037-0039; 0040; 0042; 0043; 0045; 0046. . Retrieved 2019/09/14.