816454-67-8

Basic information

• Product Name: Methanone, [1-(9-borabicyclo[3.3.1]non-9-yl)-5-(1H-pyrrol-2-ylmethyl)-1H-pyrrol-2-yl] (4-methylphenyl)-
• CAS NO: 816454-67-8
• Molecular Formula: C25H29BN2O
• Molecular Weight: 384.329
• Mol File: 816454-67-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Methanone, [1-(9-borabicyclo[3.3.1]non-9-yl)-5-(1H-pyrrol-2-ylmethyl)-1H-pyrrol-2-yl] (4-methylphenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Methanone, [1-(9-borabicyclo[3.3.1]non-9-yl)-5-(1H-pyrrol-2-ylmethyl)-1H-pyrrol-2-yl] (4-methylphenyl)-(816454-67-8)
• EPA Substance Registry System: Methanone, [1-(9-borabicyclo[3.3.1]non-9-yl)-5-(1H-pyrrol-2-ylmethyl)-1H-pyrrol-2-yl] (4-methylphenyl)-(816454-67-8)

Safety Data

• Hazardous Substances Data: 816454-67-8(Hazardous Substances Data)

Upstream product

• 749923-25-9 1-(4-methylbenzoyl)dipyrromethane 
• 62731-43-5 9-BBN triflate 

Downstream Products

• 749923-25-9 1-(4-methylbenzoyl)dipyrromethane 

Relevant articles and documents

Boron-complexation strategy for use with 1-acyldipyrromethanes

1-Acyldipyrromethanes are important precursors in rational syntheses of diverse porphyrinic compounds. 1-Acyldipyrromethanes are difficult to purify, typically streaking upon chromatography and giving amorphous powders upon attempted crystallization. A solution to this problem has been achieved by reacting the 1-acyldipyrromethane with a dialkylboron triflate (e.g., Bu 2B-OTf or 9-BBN-OTf) to give the corresponding B,B-dialkyl-B-(1- acyldipyrromethane)boron(III) complex. The reaction is selective for a 1-acyldipyrromethane in the presence of a dipyrromethane. The 1-acyldipyrromethane-boron complexes are stable to routine handling, are soluble in common organic solvents, are hydrophobic, crystallize readily, and chromatograph without streaking. The 1-acyldipyrromethane can be liberated in high yield from the boron complex upon treatment with 1-pentanol. Alternatively, the 1-acyldipyrromethane-boron complex can be used in the formation of a trans-A2B2-porphyrin. In summary, the boron-complexation strategy has broad scope and greatly facilitates the isolation of 1-acyldipyrromethanes.