2,2'-(Mesitylmethylene)bis(1H-pyrrole)

Base Information

• Chemical Name: 2,2'-(Mesitylmethylene)bis(1H-pyrrole)
• CAS No.: 159152-14-4
• Molecular Formula: C18H20N2
• Molecular Weight: 264.37
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90472479
• Nikkaji Number: J765.352B
• Wikidata: Q82301445
• Mol file: 159152-14-4.mol

Synonyms:159152-14-4;2,2'-(Mesitylmethylene)bis(1H-pyrrole);5-MESITYLDIPYRROMETHANE;2-(DIPYRROL-2-YL)METHYLMESITYLENE;2-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole;2-[(1H-pyrrol-2-yl)(2,4,6-trimethylphenyl)methyl]-1H-pyrrole;5-(mesityl)dipyrrylmethane;2-(Dipyrrol-2-yl)methyl mesitylene;SCHEMBL87351;DTXSID90472479;LMSFUWKGADQXES-UHFFFAOYSA-N;1H-PYRROLE, 2,2'-[(2,4,6-TRIMETHYLPHENYL)METHYLENE]BIS-;MFCD08669612;AKOS015854457;AKOS025394409;SB62654;CS-0212691;N12635;A883322;J-009570;2,2'-[(2,4,6-Trimethylphenyl)methylene]di(1H-pyrrole)

Chemical Property of 2,2'-(Mesitylmethylene)bis(1H-pyrrole)

Chemical Property:

• Melting Point: 170-171 °C
• Boiling Point: 456.5±40.0 °C(Predicted)
• PKA: 17.00±0.50(Predicted)
• PSA: 31.58000
• Density: 1 +-.0.06 g/cm3(Predicted)
• LogP: 4.44820
• Storage Temp.: 2-8°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 264.162648646
• Heavy Atom Count: 20
• Complexity: 289

Purity/Quality:

97% ^*data from raw suppliers

2,2'-(Mesitylmethylene)bis(1H-pyrrole) 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)C(C2=CC=CN2)C3=CC=CN3)C
• Uses: 2,2''-(Mesitylmethylene)bis(1H-pyrrole) is a reagnet in the synthesis of BODIPY complexes.

Technology Process of 2,2'-(Mesitylmethylene)bis(1H-pyrrole)

There total 6 articles about 2,2'-(Mesitylmethylene)bis(1H-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: 85.0%

pyrrole (109-97-7,30604-81-0) + mesytaldehyde (487-68-3) → 5-(mesityl)dipyrromethane (159152-14-4)

Guidance literature:

With boron trifluoride diethyl etherate; In water; Inert atmosphere; Reflux;

DOI:10.1142/S108842461950038X

Reference yield: 56.0%

pyrrole (109-97-7,30604-81-0) + mesytaldehyde (487-68-3) → 5-(mesityl)dipyrromethane (159152-14-4) + N-confused 5-mesityldipyrromethane

Guidance literature:

With indium(III) chloride; at 20 ℃; for 1.5h; Concentration; Reagent/catalyst;

DOI:10.1021/op034083q

Reference yield: 53.0%

→ 5-(mesityl)dipyrromethane (159152-14-4)

Guidance literature:

upstream raw materials:

pyrrole

mesytaldehyde

C₃₈H₆₀N₂S₂