2,7,12,17-Tetra-tert-butyl-5,10,15,20-tetraaza-21H,23H-porphine

Base Information

• Chemical Name: 2,7,12,17-Tetra-tert-butyl-5,10,15,20-tetraaza-21H,23H-porphine
• CAS No.: 64987-70-8
• Molecular Formula: C₃₂H₄₂N₈
• Molecular Weight: 538.739
• DSSTox Substance ID: DTXSID70392863
• Nikkaji Number: J836.307B
• Mol file: 64987-70-8.mol

Synonyms:64987-70-8;2,7,12,17-Tetra-tert-butyl-5,10,15,20-tetraaza-21H,23H-porphine;2,7,12,17-tetra-tert-butyl-5,10,15,20-tetraazaporphyrin;2 7 12 17-TETRA-TERT-BUTYL-5 10 15 20-;4,9,14,19-tetratert-butyl-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,4,6,8,10,12,14,16(22),17,19-undecaene;SCHEMBL12851404;DTXSID70392863;AKOS015958668;EN300-6743643;2,7,12,17-Tetra-tert-butyl-21H,23H-porphyrazine;F9995-1258;2,7,12,17-tetra-t-butyl-5,10,15,20-tetraaza-21h,23h-porphine;2,7,12,17-Tetra-tert-butyl-5,10,15,20-tetraaza-21H,23H-porphine, Dye content 85 %;5,10,15,20-tetra-tert-butyl-2,7,12,17,21,22,23,24-octaazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,8(23),9,11,13(22),14,16,18(21),19-undecaene

Chemical Property of 2,7,12,17-Tetra-tert-butyl-5,10,15,20-tetraaza-21H,23H-porphine

Chemical Property:

• Melting Point: 182℃
• PSA: 105.74000
• LogP: 3.33360
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 538.35324337
• Heavy Atom Count: 40
• Complexity: 879

Purity/Quality:

98% ^*data from raw suppliers

2,7,12,17-Tetra-tert-butyl-5,10,15,20-tetraaza-21H,23H-porphine Dye content 85% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC2=NC3=C(C=C(N3)N=C4C(=CC(=N4)N=C5C(=CC(=N5)N=C1N2)C(C)(C)C)C(C)(C)C)C(C)(C)C

Technology Process of 2,7,12,17-Tetra-tert-butyl-5,10,15,20-tetraaza-21H,23H-porphine

There total 2 articles about 2,7,12,17-Tetra-tert-butyl-5,10,15,20-tetraaza-21H,23H-porphine 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: 26.5%

sodium phenoxide (139-02-6) + C32H41BrN8 (151824-71-4) → Tetra-tert-butylporphyrazine (64987-70-8) + 3-phenoxy-2,7,12,17-tetra(tert-butyl)porphyrazine

Guidance literature:

In N,N-dimethyl-formamide; for 6h; Heating;

DOI:10.1007/BF01171160

Reference yield: 2.1%

3-t-butylpyrroline-2,5-diimine → Tetra-tert-butylporphyrazine (64987-70-8) + C32H42N8 + C32H42N8 + C32H42N8 (121576-96-3)

Guidance literature:

3-t-butylpyrroline-2,5-diimine; With iodine; magnesium; In butan-1-ol; at 130 ℃; for 24h;

With trifluoroacetic acid; at 20 ℃; for 0.333333h;

DOI:10.1002/chem.201701300

upstream raw materials:

sodium phenoxide

C₃₂H₄₁BrN₈