meso-Octamethylcalix(4)pyrrole

Base Information

• Chemical Name: meso-Octamethylcalix(4)pyrrole
• CAS No.: 4475-42-7
• Molecular Formula: C28H36 N4
• Molecular Weight: 428.621
• European Community (EC) Number: 623-589-1
• DSSTox Substance ID: DTXSID00348292
• Nikkaji Number: J811.830B
• Wikipedia: Meso-Octamethylporphyrinogen
• Wikidata: Q27122722
• Metabolomics Workbench ID: 57847
• Mol file: 4475-42-7.mol

Synonyms:meso-Octamethylcalix(4)pyrrole;4475-42-7;meso-octamethylcalix[4]pyrrole;meso-octamethylporphyrinogen;5,5,10,10,15,15,20,20-octamethyl-21,22,23,24-tetrahydroporphyrin;21H,23H-Porphine, 5,10,15,20,22,24-hexahydro-5,5,10,10,15,15,20,20-octamethyl-;5,5,10,10,15,15,20,20-octamethyl-5,10,15,20,22,24-hexahydroporphyrin;Octamethycalix[4]pyrrole;octamethyl-calix[4]pyrrole;SCHEMBL13321931;CHEBI:51701;DTXSID00348292;meso-Octamethylcalix(4)pyrrole, 97%;AKOS015898336;CS-0368275;Q27122722;Porphine, 5,10,15,20,22,24-hexahydro-5,5,10,10,15,15,20,20-octamethyl-

Chemical Property of meso-Octamethylcalix(4)pyrrole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 295 °C
• Refractive Index: 1.575
• Boiling Point: 572.844°C at 760 mmHg
• PKA: 17.65±0.70(Predicted)
• Flash Point: 238.735°C
• PSA: 63.16000
• Density: 1.074g/cm³
• LogP: 6.61600
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 428.29399717
• Heavy Atom Count: 32
• Complexity: 542

Purity/Quality:

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

MESO-OCTAMETHYLCALIX(4)PYRROLE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(C2=CC=C(N2)C(C3=CC=C(N3)C(C4=CC=C(N4)C(C5=CC=C1N5)(C)C)(C)C)(C)C)C

Technology Process of meso-Octamethylcalix(4)pyrrole

There total 27 articles about meso-Octamethylcalix(4)pyrrole 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: 95.0%

pyrrole (109-97-7,30604-81-0) + acetone (67-64-1) → 5,10,15,20,22,24-hexahydro-5,5,10,10,15,15,20,20-octamethyl-21H,23H-porphine (4475-42-7)

Guidance literature:

With citric acid; for 4h; Reflux;

DOI:10.1080/10610278.2013.794280

Reference yield: 92.0%

pyrrole (109-97-7,30604-81-0) + acetone (67-64-1) → 5,10,15,20,22,24-hexahydro-5,5,10,10,15,15,20,20-octamethyl-21H,23H-porphine (4475-42-7) + 5,5,10,10,15,15,20,20-octamethyl-N-confused calix[4]pyrrole (256659-29-7)

Guidance literature:

With 3-methyl-1-(3-sulfopropyl)-imidazolium trifluoro acetate; zinc(II) chloride; In dichloromethane; at 25 ℃; for 0.666667h; Reagent/catalyst;

DOI:10.1016/j.tetlet.2014.10.020

Reference yield: 81.0%

pyrrole (109-97-7,30604-81-0) + methanesulfonic acid (75-75-2,98527-29-8) + acetone (67-64-1) → 5,10,15,20,22,24-hexahydro-5,5,10,10,15,15,20,20-octamethyl-21H,23H-porphine (4475-42-7)

Guidance literature:

pyrrole; methanesulfonic acid; In ethanol; at 0 ℃; for 0.25h; Inert atmosphere; Glovebox;

acetone; In ethanol; at 0 - 80 ℃; for 3h; Inert atmosphere; Glovebox;

DOI:10.1021/acs.inorgchem.1c01099

upstream raw materials:

pyrrole

acetone

cyclohexanone

5,5'-dimethyldipyrromethane

Downstream raw materials:

2,3,4,5-tetramethylpyrrole

maleiimide

2-isopropylpyrrole

pyrrole