1-Ethoxy-4-[(E)-2-nitroethenyl]benzene

Base Information

• Chemical Name: 1-Ethoxy-4-[(E)-2-nitroethenyl]benzene
• CAS No.: 6946-30-1
• Molecular Formula: C10H11 N O3
• Molecular Weight: 193.202
• Hs Code.: 2909309090
• NSC Number: 170714,57187
• ChEMBL ID: CHEMBL596477
• Mol file: 6946-30-1.mol

Synonyms:1-Ethoxy-4-[(E)-2-nitroethenyl]benzene;6946-30-1;Benzene,1-ethoxy-4-(2-nitroethenyl)-;1-ethoxy-4-(2-nitroethenyl)benzene;NSC57187;Cambridge id 5238652;CHEMBL596477;SCHEMBL16632342;HMS561F02;LCRQRRBRHHLEHO-BQYQJAHWSA-N;ANM102869;NSC-57187;NSC170714;AKOS003244974;NSC-170714;Ethene,-1-(4-ethoxyphenyl)-2-nitro-;1-Ethoxy-4-[(E)-2-nitroethenyl]benzene #;EN300-1672394;1192715-29-9

Chemical Property of 1-Ethoxy-4-[(E)-2-nitroethenyl]benzene

Chemical Property:

• Vapor Pressure: 0.000344mmHg at 25°C
• Boiling Point: 329.3°C at 760 mmHg
• Flash Point: 152.6°C
• PSA: 55.05000
• Density: 1.155g/cm³
• LogP: 2.85590
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C=C[N+](=O)[O-]
• Isomeric SMILES: CCOC1=CC=C(C=C1)/C=C/[N+](=O)[O-]

Technology Process of 1-Ethoxy-4-[(E)-2-nitroethenyl]benzene

There total 4 articles about 1-Ethoxy-4-[(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: 92.0%

nitromethane (75-52-5) + 4-ethoxybenzaldehyde (10031-82-0) → (E)-1-ethoxy-4-(2-nitrovinyl)benzene (6946-30-1)

Guidance literature:

With ethylenediamine; for 3h; Reflux;

DOI:10.1002/cjoc.201201094

Reference yield: 92.0%

nitromethane (75-52-5) + 4-ethoxybenzaldehyde (10031-82-0) → 2-(4'-ethoxyphenyl)-1-nitroethene (6946-30-1)

Guidance literature:

With cyclohexylamine; acetic acid; at 50 ℃; for 24h;

DOI:10.1016/j.bmc.2010.01.029

Reference yield: 72.0%

4-ethoxystyrene (5459-40-5) → (E)-1-ethoxy-4-(2-nitrovinyl)benzene (6946-30-1)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine-N-oxyl; dipotassium peroxodisulfate; sodium nitrite; In 1,2-dichloro-ethane; at 100 ℃; for 24h; stereoselective reaction; Sealed tube;

DOI:10.1016/j.tetlet.2015.11.064

upstream raw materials:

nitromethane

4-ethoxybenzaldehyde

1-(4-ethoxy-phenyl)-2-nitro-ethanol

4-ethoxystyrene

Downstream raw materials:

C₁₃H₁₇NO₅S

3-(4-ethoxy-phenyl)quinolin-2(1H)-one

acetamide

C₁₅H₁₉NO₅