4-(2,4-Dinitrophenoxy)phenol

Base Information

• Chemical Name: 4-(2,4-Dinitrophenoxy)phenol
• CAS No.: 71078-45-0
• Molecular Formula: C12H8N2O6
• Molecular Weight: 276.205
• DSSTox Substance ID: DTXSID20513526
• Wikidata: Q82373383

Synonyms:4-(2,4-Dinitrophenoxy)phenol;71078-45-0;SCHEMBL10537196;DTXSID20513526;JKVHAGHCDVFZMH-UHFFFAOYSA-N;4-(2',4'-dinitrophenoxy)phenol

Chemical Property of 4-(2,4-Dinitrophenoxy)phenol

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 276.03823598
• Heavy Atom Count: 20
• Complexity: 358

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 4-(2,4-Dinitrophenoxy)phenol

There total 6 articles about 4-(2,4-Dinitrophenoxy)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:

1-(4-methoxyphenoxy)-2,4-dinitrobenzene (2363-27-1) → mono 2,4-dinitrophenyl ether of hydroquinone (71078-45-0)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 - 20 ℃; for 3h;

DOI:10.1021/jm200063s

Reference yield:

4-methoxy-phenol (150-76-5) → mono 2,4-dinitrophenyl ether of hydroquinone (71078-45-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 4-methylbenzene-1,3-diamine; potassium carbonate; copper(I) bromide / 1-methyl-pyrrolidin-2-one / 1 h / 110 °C / Inert atmosphere

2: boron tribromide / dichloromethane / 3 h / 0 - 20 °C

With 4-methylbenzene-1,3-diamine; boron tribromide; potassium carbonate; copper(I) bromide; In 1-methyl-pyrrolidin-2-one; dichloromethane; 1: Goldberg reaction;

DOI:10.1021/jm200063s

Reference yield:

1-chloro-2,4-dinitro-benzene (97-00-7) → mono 2,4-dinitrophenyl ether of hydroquinone (71078-45-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 4-methylbenzene-1,3-diamine; potassium carbonate; copper(I) bromide / 1-methyl-pyrrolidin-2-one / 1 h / 110 °C / Inert atmosphere

2: boron tribromide / dichloromethane / 3 h / 0 - 20 °C

With 4-methylbenzene-1,3-diamine; boron tribromide; potassium carbonate; copper(I) bromide; In 1-methyl-pyrrolidin-2-one; dichloromethane; 1: Goldberg reaction;

DOI:10.1021/jm200063s

upstream raw materials:

hydroquinone

1-chloro-2,4-dinitro-benzene

2-methoxy-3-methylcyclohex-1-ene

2C₁₅H₁₀N₃O₄⁽¹⁺⁾*C₆H₆O₂*2Cl^(1-)

Downstream raw materials:

1-(2-(4-(2,4-dinitrophenoxy)phenoxy)ethyl)pyrrolidine

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