2-{(E)-[(5-chloro-2-methylphenyl)imino]methyl}-6-ethoxy-4-nitrophenol

Base Information

• Chemical Name: 2-{(E)-[(5-chloro-2-methylphenyl)imino]methyl}-6-ethoxy-4-nitrophenol
• CAS No.: 5304-15-4
• Molecular Formula: C16H15ClN2O4
• Molecular Weight: 226.323
• DSSTox Substance ID: DTXSID70416290
• Wikidata: Q82225530
• Mol file: 5304-15-4.mol

Synonyms:5304-15-4;AC1NSCAL;Oprea1_162046;Oprea1_844354;DTXSID70416290;STK073953;AKOS000515277;2-{(E)-[(5-chloro-2-methylphenyl)imino]methyl}-6-ethoxy-4-nitrophenol

Chemical Property of 2-{(E)-[(5-chloro-2-methylphenyl)imino]methyl}-6-ethoxy-4-nitrophenol

Chemical Property:

• Vapor Pressure: 1.27E-07mmHg at 25°C
• Boiling Point: 430.7°C at 760 mmHg
• Flash Point: 214.3°C
• Density: 1.34g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 334.0720347
• Heavy Atom Count: 23
• Complexity: 429

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC(=CC(=C1O)C=NC2=C(C=CC(=C2)Cl)C)[N+](=O)[O-]

Technology Process of 2-{(E)-[(5-chloro-2-methylphenyl)imino]methyl}-6-ethoxy-4-nitrophenol

There total 3 articles about 2-{(E)-[(5-chloro-2-methylphenyl)imino]methyl}-6-ethoxy-4-nitrophenol 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:

6-ethoxy-2-mercaptobenzothiazole (120-53-6) → 6-ethoxy-2-benzothiazolesulfenamide (5304-15-4)

Guidance literature:

With ammonium hydroxide; sodium hydroxide; sodium hypochlorite; for 0.25h;

DOI:10.1021/jm00372a020

Reference yield:

→ 6-ethoxy-2-benzothiazolesulfenamide (5304-15-4)

Guidance literature:

Behandeln mit wss. NH₃ und wss. NaClO;

DOI:10.1021/jo01105a053

Reference yield:

→ 6-ethoxy-2-benzothiazolesulfenamide (5304-15-4)

Guidance literature:

6-Aethoxy-2-mercapto-benzothiazol (III), NH4OH, NaOCl;

upstream raw materials:

6-ethoxy-2-mercaptobenzothiazole

Downstream raw materials:

4-(2-Diethylamino-ethoxy)-benzoic acid 2-sulfamoyl-benzothiazol-6-yl ester

2,6-Dimethoxy-benzoic acid 2-sulfamoyl-benzothiazol-6-yl ester

4-Diethylaminomethyl-cyclohexanecarboxylic acid 2-sulfamoyl-benzothiazol-6-yl ester

(2-Sulfamoyl-6-benzothiazolyl) 4-methylphenylsulfonate

Refernces

• 1、 Woltersdorf, O. W.,Schwam, H.,Bicking, J. B.,Brown, S. L.,deSolms, S. J.,et al.. "Topically Active Carbonic Anhydrase Inhibitors. 1. O-Acyl Derivatives of 6-Hydroxybenzothiazole-2-sulfonamide". . p. 2486 - 2492. Retrieved 2007/10/02.