CAS 10591-31-8: 2,18-Dimethyl 7,12-diacetyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoate

Description:2,18-Dimethyl 7,12-diacetyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoate, with CAS number 10591-31-8, is a synthetic porphyrin derivative characterized by its complex macrocyclic structure, which includes multiple methyl and acetyl substituents. Porphyrins are known for their ability to coordinate with metal ions, making them significant in various biochemical processes, including oxygen transport and electron transfer. This particular compound features two propanoate groups at the 2 and 18 positions, enhancing its solubility in polar solvents and potentially influencing its biological activity. The presence of acetyl groups at the 7 and 12 positions may also affect its electronic properties and reactivity. As a porphyrin, it likely exhibits strong absorption in the visible region of the electromagnetic spectrum, which is a characteristic feature of such compounds. Its structural modifications suggest potential applications in fields such as photodynamic therapy, sensors, and catalysis, although specific biological or chemical properties would require further investigation.

Formula:C₃₆H₃₈N₄O₆

InChI:InChI=1S/C36H38N4O6/c1-17-23(9-11-33(43)45-7)29-16-30-24(10-12-34(44)46-8)18(2)26(38-30)14-31-36(22(6)42)20(4)28(40-31)15-32-35(21(5)41)19(3)27(39-32)13-25(17)37-29/h13-16,38-39H,9-12H2,1-8H3/b25-13-,26-14-,27-13?,28-15-,29-16?,30-16-,31-14?,32-15?

InChI key:InChIKey=ZKDRGOFZDLLULA-FSDOVPTHSA-N

SMILES:O=C(OC)CCC=1C=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5C)CCC(=O)OC)C(C(=O)C)=C4C)C(C(=O)C)=C3C)C1C

Synonyms:
2,18-Dimethyl 7,12-diacetyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoate
2,18-Porphinedipropionic acid, 7,12-diacetyl-3,8,13,17-tetramethyl-, dimethyl ester
2,4-Diacetyldeuteroporphyrin IX dimethyl ester
21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diacetyl-3,8,13,17-tetramethyl-, 2,18-dimethyl ester
21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diacetyl-3,8,13,17-tetramethyl-, dimethyl ester
Deuteroporphyrin IX, 2,4-diacetyl-, dimethyl ester
Dimethyl 3,3'-(7,12-Diacetyl-3,8,13,17-Tetramethylporphyrin-2,18-Diyl)Dipropanoate
Dimethyl 7,12-diacetyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropionate
NSC 19439