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
• 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

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:

• 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

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%

3,6-dibutoxy-1,2-benzene dicarbonitrile (75942-37-9) → 1,4,5,8,9,12,13,16-octabutoxy-14-[3-(hydroxymethyl)phenoxy]phtalocyanine (116453-73-7)

Guidance literature:

With lithium; In butan-1-ol; for 1h; Inert atmosphere; Schlenk technique; Reflux;

DOI:10.1039/c9cc02151e

Reference yield: 24.6%

3,6-dibutoxy-1,2-benzene dicarbonitrile (75942-37-9) + butan-1-ol (71-36-3) → 1,4,5,8,9,12,13,16-octabutoxy-14-[3-(hydroxymethyl)phenoxy]phtalocyanine (116453-73-7)

Guidance literature:

With lithium; for 1h; Reflux; Inert atmosphere;

DOI:10.1021/acs.inorgchem.5b02391

Reference yield:

3,6-dibutoxy-1,2-benzene dicarbonitrile (75942-37-9) → 1,4,5,8,9,12,13,16-octabutoxy-14-[3-(hydroxymethyl)phenoxy]phtalocyanine (116453-73-7) + C76H88N8O8 (191282-56-1) + C68H84N8O8 (191282-59-4) + C72H86N8O8 (191282-57-2)

Guidance literature:

With lithium; 1,4-dibutoxy-2,3-naphthalocyaninedicarbonitrile; In butan-1-ol; for 1h; Further byproducts given; Heating;

DOI:10.1021/ja963702q

upstream raw materials:

3,6-dibutoxy-1,2-benzene dicarbonitrile

1,4-dibutoxy-2,3-naphthalocyaninedicarbonitrile

2,3-dicyano-1,4-hydroquinone

butan-1-ol

Downstream raw materials:

(1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine)zinc(II)

copper(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine

Al (1,4,8,11,15,18,22,25-octa-n-butoxyphtalocyanine)(OSiEt3)

nickel(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine

Refernces

• 1、 Lin, Mei-Jin,Wang, Jun-Dong. "Effect of non-peripheral alkyloxy substituents on the structure and spectroscopic properties of metal-free phthalocyanines". . p. 284 - 289. Retrieved 2007.
• 2、 Chikamatsu, Tatsuki,Furuyama, Taniyuki,Horikawa, Takafumi,Maeda, Hajime,Segi, Masahito,Taima, Tetsuya,Takahashi, Hiromi,Uchiyama, Shiori. "Temperature-dependent changes in the molecular orientation and visible color of phthalocyanine films". . p. 31348 - 31354. Retrieved 2020/09/21.
• 3、 Furuyama, Taniyuki,Uchiyama, Shiori,Iwamoto, Takayuki,Maeda, Hajime,Segi, Masahito. "Changes of phthalocyanine visible color caused by near-IR solvatochromism". . p. 88 - 94. Retrieved 2018/03/26.