178170-05-3

Basic information

• Product Name: dimethyl 1-benzyl-3,4-dibutoxypyrrole-2,5-dicarboxylate
• Synonyms: dimethyl 1-benzyl-3,4-dibutoxypyrrole-2,5-dicarboxylate
• CAS NO: 178170-05-3
• Molecular Weight: 417.502
• Mol File: 178170-05-3.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: dimethyl 1-benzyl-3,4-dibutoxypyrrole-2,5-dicarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: dimethyl 1-benzyl-3,4-dibutoxypyrrole-2,5-dicarboxylate(178170-05-3)
• EPA Substance Registry System: dimethyl 1-benzyl-3,4-dibutoxypyrrole-2,5-dicarboxylate(178170-05-3)

Safety Data

• Hazardous Substances Data: 178170-05-3(Hazardous Substances Data)

Upstream product

• 100-39-0 benzyl bromide 
• 6175-26-4 dimethyl 2,2′-(benzylazanediyl)diacetate 
• 109-65-9 1-bromo-butane 
• 148528-45-4 dimethyl-1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate 
• 6096-81-7 dimethyl iminodiacetate 

Relevant articles and documents

Stable Expanded Porphycene-Based Diradicaloid and Tetraradicaloid

The synthesis of a bithiophene-bridged 34π conjugated aromatic expanded porphycene 1 and a cyclopentabithiophene bridged 32π conjugated anti-aromatic expanded porphycene 2 by a McMurry coupling strategy is presented. Magnetic measurements and theoretical calculations reveal that both 1 and 2 exhibit an open-shell singlet ground state with significant radical character (y0=0.63 for 1; y0=0.68, y1=0.18 for 2; y0: diradical character, y1: tetraradical character) and a small singlet–triplet energy gap (ΔES-T=?3.25 kcal mol?1 for 1 and ΔES-T=?0.92 kcal mol?1 for 2). Despite the open-shell radical character, both compounds display exceptional stability under ambient air and light conditions owing to effective delocalization of unpaired electrons in the extended cyclic π-conjugation pathway.