Copper(II) 2,9,16,23-Tetra-tert-butylphthalocyanine

Base Information

• Chemical Name: Copper(II) 2,9,16,23-Tetra-tert-butylphthalocyanine
• CAS No.: 39001-64-4
• Molecular Formula: C48H48 Cu N8
• Molecular Weight: 800.509
• Mol file: 39001-64-4.mol

Synonyms:39001-64-4;Copper(II) 2,9,16,23-Tetra-tert-butylphthalocyanine;4,4',4'',4'''-Tetra-tert-butylphthalocyanine Copper;MFCD00059117;copper(ii) 2,9,16,23-tetra-t-butyl-29h,31h-phthalocyanine;Copper(II) 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine, Dye content 97 %

Chemical Property of Copper(II) 2,9,16,23-Tetra-tert-butylphthalocyanine

Chemical Property:

• Melting Point: >300 °C(lit.)
• PSA: 65.32000
• LogP: 6.65190
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 799.329791
• Heavy Atom Count: 57
• Complexity: 1640

Purity/Quality:

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

Copper(II) 2,9,16,23-Tetra-tert-butylphthalocyanine >97.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C1=CC2=C(C=C1)C3=NC4=NC(=NC5=C6C=C(C=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)C(C)(C)C)C(=N7)N=C2[N-]3)C(C)(C)C)C9=C4C=C(C=C9)C(C)(C)C.[Cu+2]

Technology Process of Copper(II) 2,9,16,23-Tetra-tert-butylphthalocyanine

There total 6 articles about Copper(II) 2,9,16,23-Tetra-tert-butylphthalocyanine 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: 74.0%

4-(t-butyl)phthalonitrile (32703-80-3) + copper dichloride → copper (II) 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine (39001-64-4)

Guidance literature:

With catalyst: 1,8-diazabicyclo [5.4.0] undec-7-ene; In neat (no solvent); Irradiation (UV/VIS); 4-tetra-t-butyl phthalonitrile (5.44 mmol) and CuCl2 (2.72 mmol) in the presence of DBU were irradiated in a quartz vessel by a microwave oven at 440 W for 10 min; the complex was washed with a methanol/water soln.; column chromy. (silica gel, ethyl acetate/n-hexane = 1/4, wt./wt.); the complex was dried; elem. anal.;

DOI:10.1016/j.jorganchem.2004.01.017

Reference yield: 60.0%

4-tert-butylphthalic anhydride (32703-79-0) + copper(l) chloride → copper (II) 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine (39001-64-4)

Guidance literature:

With urea; In neat (no solvent); heating (200-210°C, within 30 min, N2 atmosphere), heating (200-210°C, 1 h), cooling; crushing, treatment with dild. NaOH (70°C), hot filtration, washing (H2O and dild. HCl, pH = 7), drying, dissolution (benzene), chromy. (Al2O3, benzene), evapn., heating (1E-4 Torr, 230-240°C); elem. anal.;

DOI:10.1007/BF00810897

Reference yield: 48.0%

tetrakis(2,9,16,23-tert-butyl)phthalocyanine (35984-93-1) + copper(II) acetate monohydrate (6046-93-1) → copper(II) 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine (39001-64-4)

Guidance literature:

at 175 - 180 ℃; for 4h;

DOI:10.1007/s11224-015-0619-3

upstream raw materials:

tetrakis(2,9,16,23-tert-butyl)phthalocyanine

copper(II) acetate monohydrate

4-(t-butyl)phthalonitrile

4-tert-butylphthalic anhydride

Refernces

• 1、 Freyer, Wolfgang,Minh, Le quoc. "Synthesis of Metal Complexes of Tetra-(2,3-anthra)-tetraazaporphin and Comparison of their Electronic Absorption Spectra with other Linearly Annellated Tetraazaporphin Systems". . p. 475 - 490. Retrieved 1986.
• 2、 Liu, Mark O.,Tai, Chia-Hon,Wang, Wei-Ya,Chen, Jun-Rong,Hu, Andrew Teh,Wei, Tai-Huei. "Microwave-assisted synthesis and reverse saturable absorption of phthalocyanines and porphyrins". . p. 1078 - 1084. Retrieved 2007/10/03.