4-N-BUTOXYPHTHALONITRILE

Base Information

• Chemical Name: 4-N-BUTOXYPHTHALONITRILE
• CAS No.: 81560-32-9
• Molecular Formula: C12H12N2O
• Molecular Weight: 200.24
• Hs Code.: 2926909090
• Mol file: 81560-32-9.mol

Synonyms:4-butoxybenzene-1,2-dicarbonitrile;

Chemical Property of 4-N-BUTOXYPHTHALONITRILE

Chemical Property:

• Melting Point: 46oC
• Boiling Point: 376.7oC at 760 mmHg
• Flash Point: 156.1oC
• PSA: 56.81000
• Density: 1.1g/cm3
• LogP: 2.60886
• Solubility.: soluble in Methanol

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Butoxyphthalonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-Butoxyphthalonitrile is used as a reactant in the synthesis of cobalt phthalocyanine analogs as soluble catalysts to improve the charging performance of Li-O2 batteries.

Technology Process of 4-N-BUTOXYPHTHALONITRILE

There total 1 articles about 4-N-BUTOXYPHTHALONITRILE 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: 80.8%

4-Nitrophthalonitrile (31643-49-9) + 4-n-butoxyphenol (122-94-1) → 4?(4?butyloxyphenoxy)phthalonitrile (81560-32-9)

Guidance literature:

With potassium carbonate; In water; N,N-dimethyl-formamide; at 90 - 95 ℃; for 1.5h;

DOI:10.1007/s10973-020-10025-1

Reference yield:

4?(4?butyloxyphenoxy)phthalonitrile (81560-32-9) → 2-benzyloxy-9,10,16,17,23,24-hexa-n-butylphthalocyanine (1260503-32-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: lithium methanolate / i-Amyl alcohol / 3 h / Reflux

1.2: Cooling with ice

1.3: 2 h / Reflux

2.1: sulfuric acid / 0.08 h

3.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 20 °C / Sonication

3.2: 1 h

With sulfuric acid; lithium methanolate; sodium hydride; In i-Amyl alcohol; N,N-dimethyl-formamide;

DOI:10.1002/ejic.201000511

Reference yield:

4?(4?butyloxyphenoxy)phthalonitrile (81560-32-9) + 4,5-di-n-butylphthalodinitrile (78763-84-5) → 2-benzyloxy-9,10,16,17,23,24-hexa-n-butylphthalocyanine (1260503-32-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: lithium methanolate / i-Amyl alcohol / 3 h / Reflux

1.2: Cooling with ice

2.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 20 °C / Sonication

2.2: 1 h

With lithium methanolate; sodium hydride; In i-Amyl alcohol; N,N-dimethyl-formamide;

DOI:10.1002/ejic.201000511

upstream raw materials:

4-Nitrophthalonitrile

4-n-butoxyphenol

Downstream raw materials:

2-benzyloxy-9,10,16,17,23,24-hexa-n-butylphthalocyanine

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