1,4,8,11,15,18,22,25-Octa-n-butoxyphthalocyanine

Base Information

Chemical Name:1,4,8,11,15,18,22,25-Octa-n-butoxyphthalocyanine
CAS No.:116453-73-7
Molecular Formula:C64H82N8O8
Molecular Weight:1091.4
Hs Code.:
DSSTox Substance ID:DTXSID90151393
Mol file:116453-73-7.mol

Synonyms:1,4,8,11,15,18,22,25-octa-n-butoxyphthalocyanine;H2Pc(OBu)8

Suppliers and Price of 1,4,8,11,15,18,22,25-Octa-n-butoxyphthalocyanine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
1,4,8,11,15,18,22,25-Octabutoxy-29H,31H-phthalocyanine Dye content 95 %
1g
$ 298.00

Total 36 raw suppliers

Chemical Property of 1,4,8,11,15,18,22,25-Octa-n-butoxyphthalocyanine

Chemical Property:

Melting Point:221 °C (dec.)(lit.)
Refractive Index:1.62
PSA：179.58000
Density:1.178g/cm³
LogP:11.32400
XLogP3:16.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:32
Exact Mass:1090.62556160
Heavy Atom Count:80
Complexity:1610

Purity/Quality:

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

1,4,8,11,15,18,22,25-Octabutoxy-29H,31H-phthalocyanine Dye content 95 % ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 22-24/25

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=NC(=NC6=C7C(=CC=C(C7=C(N6)N=C2N3)OCCCC)OCCCC)C8=C(C=CC(=C85)OCCCC)OCCCC)C9=C(C=CC(=C94)OCCCC)OCCCC
General Description 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine is a phthalocyanine derivative with eight butoxy substituents positioned at the non-peripheral (α) positions of the macrocycle. This substitution pattern influences the electronic and structural properties of the phthalocyanine core, as evidenced by its use in studies involving axial ligand exchange for tuning near-IR absorption in manganese(III) phthalocyanines. The butoxy groups expand the central cavity of the phthalocyanine skeleton while reducing its ring current, which can affect spectroscopic behavior. Additionally, 1,4,8,11,15,18,22,25-OCTABUTOXY- PHTHALOCYANINE has been employed in the synthesis of double-decker terbium(III) complexes, where its protonation and deprotonation behavior were investigated, highlighting its role in modulating the coordination environment of the metal center.

Technology Process of 1,4,8,11,15,18,22,25-Octa-n-butoxyphthalocyanine

There total 8 articles about 1,4,8,11,15,18,22,25-Octa-n-butoxyphthalocyanine 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: 78.0%

: 75942-37-9
3,6-dibutoxy-1,2-benzene dicarbonitrile

: 116453-73-7
1,4,5,8,9,12,13,16-octabutoxy-14-[3-(hydroxymethyl)phenoxy]phtalocyanine

Guidance literature:: With lithium; In butan-1-ol; for 1h; Inert atmosphere; Schlenk technique; Reflux;
DOI:10.1039/c9cc02151e

Reference yield: 24.6%

: 75942-37-9
3,6-dibutoxy-1,2-benzene dicarbonitrile

: 71-36-3
butan-1-ol

: 116453-73-7
1,4,5,8,9,12,13,16-octabutoxy-14-[3-(hydroxymethyl)phenoxy]phtalocyanine

Guidance literature:: With lithium; for 1h; Reflux; Inert atmosphere;
DOI:10.1021/acs.inorgchem.5b02391

Reference yield:

: 75942-37-9
3,6-dibutoxy-1,2-benzene dicarbonitrile

: 116453-73-7
1,4,5,8,9,12,13,16-octabutoxy-14-[3-(hydroxymethyl)phenoxy]phtalocyanine

: 191282-56-1
C₇₆H₈₈N₈O₈

: 191282-59-4
C₆₈H₈₄N₈O₈

: 191282-57-2
C₇₂H₈₆N₈O₈

Guidance literature:: With lithium; 1,4-dibutoxy-2,3-naphthalocyaninedicarbonitrile; In butan-1-ol; for 1h; Further byproducts given; Heating;
DOI:10.1021/ja963702q