1H-Pyrrole, 2,5-bis(1H-pyrrol-2-ylmethyl)-

Base Information

• Chemical Name: 1H-Pyrrole, 2,5-bis(1H-pyrrol-2-ylmethyl)-
• CAS No.: 220210-66-2
• Molecular Formula: C14H15N3
• Molecular Weight: 225.293
• DSSTox Substance ID: DTXSID90447288
• Nikkaji Number: J882.981K
• Wikidata: Q82266142
• Mol file: 220210-66-2.mol

Synonyms:Tripyrrane;1H-Pyrrole, 2,5-bis(1H-pyrrol-2-ylmethyl)-;220210-66-2;SCHEMBL12328331;DTXSID90447288

Chemical Property of 1H-Pyrrole, 2,5-bis(1H-pyrrol-2-ylmethyl)-

Chemical Property:

• PSA: 47.37000
• LogP: 2.85250
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 225.126597491
• Heavy Atom Count: 17
• Complexity: 220

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CNC(=C1)CC2=CC=C(N2)CC3=CC=CN3

Technology Process of 1H-Pyrrole, 2,5-bis(1H-pyrrol-2-ylmethyl)-

There total 2 articles about 1H-Pyrrole, 2,5-bis(1H-pyrrol-2-ylmethyl)- 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: 62.0%

pyrrole (109-97-7,30604-81-0) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → di(pyrrol-2-yl)methane (21211-65-4) + 2,5-bis[(1H-pyrrol-2-yl)methyl]-1H-pyrrole (220210-66-2)

Guidance literature:

With water; trifluoroacetic acid; at 50 ℃; for 0.0833333h;

DOI:10.1016/S0040-4039(00)00672-9

Reference yield: 13.0%

pyrrole (109-97-7,30604-81-0) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → pentapyrromethane + tetrapyrromethane (68277-11-2) + 2,5-bis[(1H-pyrrol-2-yl)methyl]-1H-pyrrole (220210-66-2)

Guidance literature:

In water; for 0.0111111h; microwave irradiation;

DOI:10.1016/j.tetlet.2007.11.082

Reference yield: 11.0%

pyrrole (109-97-7,30604-81-0) + 4-methyl-benzaldehyde (104-87-0) + 2,5-bis[(1H-pyrrol-2-yl)methyl]-1H-pyrrole (220210-66-2) → (1Z,4Z,9Z,15Z)-5-p-Tolyl-porphyrin + 5,10-bis(p-tolyl)phorphyrin

Guidance literature:

pyrrole; 4-methyl-benzaldehyde; 2,5-bis[(1H-pyrrol-2-yl)methyl]-1H-pyrrole; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 18h;

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; for 1h;

DOI:10.1016/S0040-4039(02)02475-9

upstream raw materials:

pyrrole

formaldehyd

Downstream raw materials:

porphyrin

calix[4]pyrrole