CID 7015567

Base Information

• Chemical Name: CID 7015567
• CAS No.: 71130-60-4
• Molecular Formula: C9H12 N2 O3
• Molecular Weight: 196.206
• Mol file: 71130-60-4.mol

Synonyms:

Chemical Property of CID 7015567

Chemical Property:

• Vapor Pressure: 1.21E-05mmHg at 25°C
• Melting Point: 200-2010C
• Boiling Point: 358.7°C at 760 mmHg
• Flash Point: 170.8°C
• PSA: 78.08000
• Density: 1.242g/cm³
• LogP: 2.32400
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 196.08479225
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

98%min ^*data from raw suppliers

2-[(Ethylamino)methyl]-4-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[NH2+]CC1=C(C=CC(=C1)[N+](=O)[O-])[O-]
• Uses: 2-[(Ethylamino)methyl]-4-nitrophenol is used in synthesis of some novel amodiaquine analogs as potential antimalarial and antifilarial compounds.

Technology Process of CID 7015567

There total 5 articles about CID 7015567 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: 89.0%

ethylamine (75-04-7,85404-22-4) + 5-Nitrosalicylaldehyde (97-51-8) → 2‐(ethylamino)methyl‐4‐nitrophenol (71130-60-4)

Guidance literature:

ethylamine; 5-Nitrosalicylaldehyde; In methanol; at 25 ℃; for 1h;

With sodium tetrahydroborate; In methanol; at 0 ℃; for 16.75h;

DOI:10.1021/acsinfecdis.8b00279

Reference yield: 70.0%

2-hydroxy-5-nitrobenzyl chloride (2973-19-5) + ethylamine (75-04-7,85404-22-4) → 2‐(ethylamino)methyl‐4‐nitrophenol (71130-60-4)

Guidance literature:

In benzene; 1.) 24 h, 2.) reflux, 1 h;

DOI:10.1021/jm00144a020

Reference yield:

2‐((E)‐(ethylimino)methyl)‐4‐nitrophenol → 2‐(ethylamino)methyl‐4‐nitrophenol (71130-60-4)

Guidance literature:

With sodium tetrahydroborate; sodium hydroxide; In methanol; water; at 20 ℃;

DOI:10.1002/jlcr.3721

upstream raw materials:

2-hydroxy-5-nitrobenzyl chloride

ethylamine

N-ethyl-3-nitro-5-tert-butylsalicylaldimine

5-Nitrosalicylaldehyde

Downstream raw materials:

4‐amino‐2‐((ethylamino)methyl)phenol dihydrochloride

4-amino-2-((ethylamino)methyl)phenol

N-(3,4-Dichloro-phenyl)-N'-[4-(3-ethylaminomethyl-4-hydroxy-phenylamino)-6-trifluoromethyl-pyrimidin-2-yl]-guanidine