2-(Benzyloxy)-1-methoxy-3-[(E)-2-nitroethenyl]benzene

Base Information

• Chemical Name: 2-(Benzyloxy)-1-methoxy-3-[(E)-2-nitroethenyl]benzene
• CAS No.: 49818-48-6
• Molecular Formula: C16H15 N O4
• Molecular Weight: 285.299
• NSC Number: 143403
• DSSTox Substance ID: DTXSID00419279
• Wikidata: Q82230232
• Mol file: 49818-48-6.mol

Synonyms:NSC143403;49818-48-6;DTXSID00419279;ANM102172;AKOS000281234;NSC-143403;2-(BENZYLOXY)-1-METHOXY-3-[(E)-2-NITROETHENYL]BENZENE

Chemical Property of 2-(Benzyloxy)-1-methoxy-3-[(E)-2-nitroethenyl]benzene

Chemical Property:

• Vapor Pressure: 1.93E-07mmHg at 25°C
• Boiling Point: 437.4°C at 760 mmHg
• Flash Point: 183.8°C
• Density: 1.212g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 285.10010796
• Heavy Atom Count: 21
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1OCC2=CC=CC=C2)C=C[N+](=O)[O-]
• Isomeric SMILES: COC1=CC=CC(=C1OCC2=CC=CC=C2)/C=C/[N+](=O)[O-]

Technology Process of 2-(Benzyloxy)-1-methoxy-3-[(E)-2-nitroethenyl]benzene

There total 4 articles about 2-(Benzyloxy)-1-methoxy-3-[(E)-2-nitroethenyl]benzene 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%

nitromethane (75-52-5) + 2-benzyloxy-3-methoxybenzaldehyde (2011-06-5) → 2-(benzyloxy)-1-methoxy-3-(2-nitrovinyl)benzene (49818-48-6)

Guidance literature:

With potassium fluoride; In toluene; Heating;

DOI:10.1002/jhet.5570440426

Reference yield: 71.1%

nitromethane (75-52-5) + 2-benzyloxy-3-methoxybenzaldehyde (2011-06-5) → 2-Benzyloxy-3-methoxy-ω-nitro-styrol (49818-48-6)

Guidance literature:

With ammonium acetate; acetic acid; at 80 ℃; for 5h;

Reference yield:

3-methoxy-2-hydroxybenzaldehyde (148-53-8) → 2-Benzyloxy-3-methoxy-ω-nitro-styrol (49818-48-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate

2: acetic acid; ammonium acetate

With ammonium acetate; potassium carbonate; acetic acid; 2: |Henry Nitro Aldol Condensation;

DOI:10.1111/cbdd.12796

upstream raw materials:

3-methoxy-2-hydroxybenzaldehyde

nitromethane

2-benzyloxy-3-methoxybenzaldehyde

Downstream raw materials:

2-benzyloxy-1-methoxy-3-(1-methoxy-2-nitro-ethyl)-benzene

N-<2-(2-Benzyloxy-3-methoxy-phenyl)-aethyl>-4-methoxy-phenylacetamid

2-(3-methoxy-2-benzyloxyphenyl)-2-methoxyethylamine

2-(2-(benzyloxy)-3-methoxyphenyl)acetic acid