4,5-Bis(dodecyloxy)phthalonitrile

Base Information

• Chemical Name: 4,5-Bis(dodecyloxy)phthalonitrile
• CAS No.: 114364-56-6
• Molecular Formula: C32H52N2O2
• Molecular Weight: 496.777
• DSSTox Substance ID: DTXSID30557153
• Nikkaji Number: J668.473D
• Wikidata: Q82438963
• Mol file: 114364-56-6.mol

Synonyms:4,5-Bis(dodecyloxy)phthalonitrile;114364-56-6;SCHEMBL8448469;DTXSID30557153;4,5-BIS(DODECYLOXY)BENZENE-1,2-DICARBONITRILE

Chemical Property of 4,5-Bis(dodecyloxy)phthalonitrile

Chemical Property:

• XLogP3: 12.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 24
• Exact Mass: 496.40287891
• Heavy Atom Count: 36
• Complexity: 538

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCOC1=C(C=C(C(=C1)C#N)C#N)OCCCCCCCCCCCC

Technology Process of 4,5-Bis(dodecyloxy)phthalonitrile

There total 9 articles about 4,5-Bis(dodecyloxy)phthalonitrile 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: 66.7%

1,2-dibromo-4',5'-di-n-dodecyloxybenzene (114364-55-5) → 1,2-Dicyano-4,5-bis(dodecyloxy)benzene (114364-56-6)

Guidance literature:

In N,N-dimethyl-formamide; Heating;

Reference yield: 66.2%

copper(I) cyanide (544-92-3) + 1,2-dibromo-4',5'-di-n-dodecyloxybenzene (114364-55-5) → 1,2-Dicyano-4,5-bis(dodecyloxy)benzene (114364-56-6)

Guidance literature:

In N,N-dimethyl-formamide; for 5h; Heating;

Reference yield: 56.0%

1,2-bis(dodecycloxy)-4,5-diiodobenzene (181144-60-5) + copper(l) cyanide → 1,2-Dicyano-4,5-bis(dodecyloxy)benzene (114364-56-6)

Guidance literature:

In N,N-dimethyl-formamide; Inert atmosphere;

DOI:10.1039/c4tc02778g

upstream raw materials:

1,3-diimino-5,6-bis(dodecyloxy)isoindoline

copper(I) cyanide

1,2-dibromo-4',5'-di-n-dodecyloxybenzene

1-dodecyl alcohol

Downstream raw materials:

zinc(II) 2,3,9,10,16,17,23,24-octakis(dodecyloxy)phthalocyaninato^(2-)-N²⁹, N³⁰, N³¹, N³²

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