2-methoxy-4-[(1Z)-2-nitroprop-1-en-1-yl]phenol

Base Information

• Chemical Name: 2-methoxy-4-[(1Z)-2-nitroprop-1-en-1-yl]phenol
• CAS No.: 5395-47-1
• Molecular Formula: C10H11 N O4
• Molecular Weight: 209.2
• NSC Number: 57759,3298
• Nikkaji Number: J863.427K
• Mol file: 5395-47-1.mol

Synonyms:2-methoxy-4-[(1Z)-2-nitroprop-1-en-1-yl]phenol;5395-47-1;2-Methoxy-4-(2-nitro-1-propenyl)phenol;2-methoxy-4-[(Z)-2-nitroprop-1-enyl]phenol;NSC3298;2-Methoxy-4-(2-nitropropenyl)phenol;NSC-3298;NSC57759;MFCD09697767;NSC-57759;AKOS003662230;LS-08255;Phenol, 2-methoxy-4-(2-nitropropenyl)-

Chemical Property of 2-methoxy-4-[(1Z)-2-nitroprop-1-en-1-yl]phenol

Chemical Property:

• Vapor Pressure: 2.27E-05mmHg at 25°C
• Boiling Point: 349.8°Cat760mmHg
• Flash Point: 165.4°C
• PSA: 75.28000
• Density: 1.264g/cm³
• LogP: 2.56150
• Solubility.: Chloroform, Dichloromethane, Toluene
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

2-Methoxy-4-(2-nitro-1-propenyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1=CC(=C(C=C1)O)OC)[N+](=O)[O-]
• Isomeric SMILES: C/C(=C/C1=CC(=C(C=C1)O)OC)/[N+](=O)[O-]
• Uses: A nitrostyrene derivative with potential antibacterial properties against gram positive bacteria such as Staphylococcus aureus, Enterococcus faecalis, and Enterococcus faecium.

Technology Process of 2-methoxy-4-[(1Z)-2-nitroprop-1-en-1-yl]phenol

There total 2 articles about 2-methoxy-4-[(1Z)-2-nitroprop-1-en-1-yl]phenol 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:

Nitroethane (79-24-3) + vanillin (121-33-5,8014-42-4) → β-nitroisoeugenol (5395-47-1)

Guidance literature:

With ammonium acetate; for 5h; Reflux;

DOI:10.2174/157018012804586888

Reference yield:

→ β-nitroisoeugenol (5395-47-1)

Guidance literature:

DOI:10.1139/v67-166 DOI:10.1139/v64-017

Reference yield: 69.0%

β-nitroisoeugenol (5395-47-1) → 1-(4-hydroxy-3-methoxyphenyl)-2-nitropropane (94640-32-1)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; methanol; Ambient temperature;

DOI:10.1016/S0040-4020(01)89059-1

upstream raw materials:

Nitroethane

vanillin

Downstream raw materials:

1-(4-hydroxy-3-methoxyphenyl)-2-nitropropane

Refernces