CID 16154463

Base Information

• Chemical Name: CID 16154463
• CAS No.: 155773-70-9
• Molecular Formula: C80H88 N8 Ni O8
• Molecular Weight: 1348.32
• European Community (EC) Number: 633-871-6
• Mol file: 155773-70-9.mol

Synonyms:155773-70-9;Nickel(2+);5,12,18,25,31,38,44,51-octabutoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40

Chemical Property of CID 16154463

Chemical Property:

• Melting Point: >300 °C(lit.)
• PSA: 160.89000
• LogP: 16.05640
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 32
• Exact Mass: 1346.607853
• Heavy Atom Count: 97
• Complexity: 1830

Purity/Quality:

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

Nickel(II) 5,9,14,18,23,27,32,36-octabutoxy-2,3-naphthalocyanine Dye content 98 % ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,Xn
• Statements: 49-43-42
• Safety Statements: 53-36/37/39-45-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCOC1=C2C=CC=CC2=C(C3=C4[N-]C(=C31)N=C5C6=C(C7=CC=CC=C7C(=C6C(=N5)N=C8C9=C(C1=CC=CC=C1C(=C9C(=NC1=NC(=N4)C2=C(C3=CC=CC=C3C(=C21)OCCCC)OCCCC)[N-]8)OCCCC)OCCCC)OCCCC)OCCCC)OCCCC.[Ni+2]

Technology Process of CID 16154463

There total 1 articles about CID 16154463 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: 63.0%

5,9,14,18,23,27,32,36-octabutoxy-2,3-napthalocyanine (105528-25-4) + nickel(II) acetate tetrahydrate (6018-89-9) → Ni(II) octabutoxynaphthalocyanine (155773-70-9)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In butan-1-ol; under Ar atm. soln. naphthalocyanine, 1,8-diazabicyclo(5.4.0)undec-7-eneand 1-butanol was treated with Ni(OAc)4*4H2O over 3 days; soln. was diluted with aq. MeOH and filtered, solid was chromd. on alumina (III) (toluene) and vac. dried at room temp.;

DOI:10.1021/ic061524o

upstream raw materials:

5,9,14,18,23,27,32,36-octabutoxy-2,3-napthalocyanine

nickel(II) acetate tetrahydrate

Refernces