CAS 571177-68-9: Octyl 3′-phenyl-3′H-cyclopropa[1,9][5,6]fullerene-C60-Ih-3′-butanoate

Description: Octyl 3′-phenyl-3′H-cyclopropa[1,9][5,6]fullerene-C60-Ih-3′-butanoate is a complex organic compound that belongs to the fullerene family, specifically a derivative of C60 fullerene. This substance features a unique structure characterized by the presence of a cyclopropane moiety and various functional groups, including an octyl chain and a butanoate ester. The incorporation of the phenyl group enhances its electronic properties, making it potentially useful in organic electronics, photovoltaics, and nanotechnology applications. The compound exhibits hydrophobic characteristics due to the long octyl chain, which can influence its solubility and interaction with biological systems. Additionally, the fullerene core contributes to its stability and unique optical properties, such as strong light absorption and potential photochemical reactivity. Overall, this compound's distinctive structure and properties make it a subject of interest in materials science and organic chemistry research.

Formula: C₇₉H₂₈O₂

InChI: InChI=1S/C79H28O2/c1-2-3-4-5-6-10-16-81-18(80)14-11-15-77(17-12-8-7-9-13-17)78-73-65-57-47-37-29-21-19-20-23-27-25(21)33-41-35(27)45-39-31(23)32-24(20)28-26-22(19)30(29)38-44-34(26)42-36(28)46-40(32)50-49(39)59-53(45)63-55(41)61(51(57)43(33)37)69(73)71(63)75-67(59)68-60(50)54(46)64-56(42)62-52(44)58(48(38)47)66(65)74(78)70(62)72(64)76(68)79(75,77)78/h7-9,12-13H,2-6,10-11,14-16H2,1H3

InChI key: InChIKey=ADEGFIBLPDLJCV-UHFFFAOYSA-N

SMILES: O=C(OCCCCCCCC)CCCC1(C=2C=CC=CC2)C34C5=C6C=7C=8C=9C=%10C=%11C%12=C%13C%14=C%15C%11C%16=C%17C%15=C%18C%19=C%14C=%20C%13=C%21C%22=C%12C%10C%23=C%24C%22=C%25C%21=C%26C%20C=%27C%19=C%28C%18=C%29C%17=C(C7C%169)C5=C%29C%30=C%28C=%31C%27C%26=C%32C%25=C%33C%24=C(C%238)C6=C4C%33=C%32C%31C%3031

Synonyms:

• 1-(3-Octoxycarbonylpropyl)-1-phenyl-[6.6]C61, [60]PCB-C8, PCBO
• 3′H-Cyclopropa[1,9][5,6]fullerene-C₆₀-I_h-3′-butanoic acid, 3′-phenyl-, octyl ester
• Octyl 3′-phenyl-3′H-cyclopropa[1,9][5,6]fullerene-C₆₀-I_h-3′-butanoate
• [6,6]-Phenyl C61 butyric acid octyl ester, >=99%
• [6,6]-Phenyl-C61 butyric acid octyl ester
• 3′H-Cyclopropa[1,9][5,6]fullerene-C60-Ih-3′-butanoic acid, 3′-phenyl-, octyl ester
• Octyl 3′-phenyl-3′H-cyclopropa[1,9][5,6]fullerene-C60-Ih-3′-butanoate

[6,6]-Phenyl-C61-butyric Acid n-Octyl Ester

CAS: 571177-68-9

• Formula: C₇₉H₂₈O₂
• Purity: >98.0%(HPLC)
• Color and Shape: Black powder to crystal
• Molecular weight: 1,009.09

[6,6]-Phenyl C61 butyric acid octyl ester

CAS: 571177-68-9

• Formula: C₇₉H₂₈O₂
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 1009.0664

[6,6]-Phenyl-C61-butyric Acid n-Octyl Ester

CAS: 571177-68-9

[6,6]-Phenyl-C61-butyric Acid n-Octyl Ester is a light-emitting polymer with high fluorescence quantum yield. It can …

• Purity: Min. 95%