CID 6528991

Base Information

• Chemical Name: CID 6528991
• CAS No.: 155773-71-0
• Molecular Formula: C₆₄H₈₀N₈NiO₈
• Molecular Weight: 1148.08
• European Community (EC) Number: 630-879-1
• Mol file: 155773-71-0.mol

Synonyms:155773-71-0;NI(II)-1,4,8,11,15,18,22,25-OCTABUTOXY- PHTHALOCYANINE;Nickel(II)1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine

Chemical Property of CID 6528991

Chemical Property:

• Melting Point: 288-293 °C(lit.)
• PSA: 157.86000
• LogP: 10.89560
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 32
• Exact Mass: 1146.545253
• Heavy Atom Count: 81
• Complexity: 1380

Purity/Quality:

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

Nickel(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine Dye content 97 % ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 49-43
• Safety Statements: 53-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCOC1=C2C(=C(C=C1)OCCCC)C3=NC4=NC(=NC5=C6C(=CC=C(C6=C([N-]5)N=C7C8=C(C=CC(=C8C(=N7)N=C2[N-]3)OCCCC)OCCCC)OCCCC)OCCCC)C9=C(C=CC(=C94)OCCCC)OCCCC.[Ni+2]

Technology Process of CID 6528991

There total 1 articles about CID 6528991 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: 48.0%

1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine (116453-73-7) + nickel(II) acetate tetrahydrate (6018-89-9) → nickel(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine (155773-71-0)

Guidance literature:

In N,N-dimethyl-formamide; under Ar, a mixture of the organic ligand, Ni-salt and dimethylformamiderefluxed for 1.5 h and evaporated to dryness by rotary evaporation (45. degree.C); solid chromatographed twice (basic Al2O3 III, ethyl acetate-toluene, 1:2), further chromatographed (Bio-Beads S-X1, toluene), dissolved in CH2Cl2, recovered with CH3OH, washed with CH3OH, vacuum-dried (room temp.);

DOI:10.1021/jp0457444

upstream raw materials:

1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine

nickel(II) acetate tetrahydrate

Refernces