4-{(E)-[4-(Octyloxy)phenyl]diazenyl}benzoic acid

Base Information

• Chemical Name: 4-{(E)-[4-(Octyloxy)phenyl]diazenyl}benzoic acid
• CAS No.: 88912-07-6
• Molecular Formula: C21H26N2O3
• Molecular Weight: 354.449
• DSSTox Substance ID: DTXSID30517878
• Nikkaji Number: J763.912K
• Mol file: 88912-07-6.mol

Synonyms:88912-07-6;4-{(E)-[4-(Octyloxy)phenyl]diazenyl}benzoic acid;SCHEMBL8905135;DTXSID30517878

Chemical Property of 4-{(E)-[4-(Octyloxy)phenyl]diazenyl}benzoic acid

Chemical Property:

• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 354.19434270
• Heavy Atom Count: 26
• Complexity: 412

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)O

Technology Process of 4-{(E)-[4-(Octyloxy)phenyl]diazenyl}benzoic acid

There total 9 articles about 4-{(E)-[4-(Octyloxy)phenyl]diazenyl}benzoic acid 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: 76.0%

ethyl 4-((4-octyloxyphenyl)diazenyl)benzoate (139056-51-2) → 4-(4-octyloxyphenylazo)-benzoic acid (88912-07-6)

Guidance literature:

With sodium hydroxide; water; In methanol; for 6h; Heating;

DOI:10.1246/bcsj.70.1649

Reference yield:

ethyl 4-[(4-hydroxyphenyl)diazenyl]benzoate (4418-89-7) → 4-(4-octyloxyphenylazo)-benzoic acid (88912-07-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / K₂CO₃ / acetone / 10 h / Heating

2: 76 percent / NaOH; water / methanol / 6 h / Heating

With sodium hydroxide; water; potassium carbonate; In methanol; acetone; 1: Etherification / 2: Hydrolysis;

DOI:10.1246/bcsj.70.1649

Reference yield:

phenol (108-95-2,27073-41-2) → 4-(4-octyloxyphenylazo)-benzoic acid (88912-07-6)

Guidance literature:

Multi-step reaction with 4 steps

1: hydrogenchloride; sodium nitrite / water

2: sulfuric acid / Reflux

3: potassium carbonate / pentan-3-one / Reflux

4: sodium hydroxide

With hydrogenchloride; sulfuric acid; potassium carbonate; sodium hydroxide; sodium nitrite; In water; pentan-3-one;

DOI:10.1080/15421400903060557

upstream raw materials:

ethyl 4-((4-octyloxyphenyl)diazenyl)benzoate

1-bromo-octane

ethyl 4-[(4-hydroxyphenyl)diazenyl]benzoate

4-amino-benzoic acid

Downstream raw materials:

4-((4-(octyloxy)-phenyl)azo)benzoyl chloride

C₃₀H₃₀N₂O₅