CID 5775554

Base Information

Chemical Name:CID 5775554
CAS No.:58687-99-3
Molecular Formula:C64H58N8
Molecular Weight:939.2
Hs Code.:
DSSTox Substance ID:DTXSID90420935
Mol file:58687-99-3.mol

Synonyms:58687-99-3;8,21,34,47-Tetratert-butyl-2,15,28,41,53,54,55,56-octazatridecacyclo[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(53),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30(39),31,33,35,37,40(54),41,43(52),44,46,48,50-heptacosaene;DTXSID90420935

Suppliers and Price of CID 5775554

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
2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine Dye content 97 %
500mg
$ 125.00

Total 5 raw suppliers

Chemical Property of CID 5775554

Chemical Property:

PSA：101.98000
Density:1.267±0.06 g/cm3(Predicted)
LogP:12.40030
XLogP3:18.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:938.47844388
Heavy Atom Count:72
Complexity:1930

Purity/Quality:

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

2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine Dye content 97 % ^*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=CC3=C(C=C2C=C1)C4=NC5=C6C=C7C=C(C=CC7=CC6=C(N5)N=C8C9=C(C=C1C=CC(=CC1=C9)C(C)(C)C)C(=N8)N=C1C2=C(C=C5C=CC(=CC5=C2)C(C)(C)C)C(=N1)N=C3N4)C(C)(C)C

Technology Process of CID 5775554

There total 1 articles about CID 5775554 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:

: 32703-82-5
6-tert-butylnaphthalene-2,3-dicarbonitrile

: 125440-57-5
Hexadecylmagnesium chloride

: 58687-99-3
Tetra-tert-butylnaphthalocyanine

: 125440-60-0
2,11,20,29-tetrakis(2,2-dimethylethyl)-34-pentadecyl-37H,39H-tetranaphtho<2,3-:2',3'-g:2'',3''-l:2''',3'''-q><5,10,15>triazaporphine

Guidance literature:: Yield given. Multistep reaction. Yields of byproduct given;
DOI:10.1021/jo00294a038

Reference yield:

: 58687-99-3
2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine

: 557-34-6
zinc diacetate

: 39049-43-9
zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine

Guidance literature:: In ethanol; prepd. by Freyer, W.; Mueller, S.; Teuchner, K.: J. Photochem. Photobiol. A: Chem. 2004, 163, 231;
DOI:10.1021/jp046576i