N-Des-t-boc-N-2-[2-methyl-1-(4-methoxyphenyl)methoxy]propyloxycarbonxyl-7,10-O-bis{[(2,2,2-trichloroethyl)oxy]carbonyl} Docetaxel

CAS: 154044-74-3

Ref. TR-D422275

Product Information

• Name: N-Des-t-boc-N-2-[2-methyl-1-(4-methoxyphenyl)methoxy]propyloxycarbonxyl-7,10-O-bis{[(2,2,2-trichloroethyl)oxy]carbonyl} Docetaxel
• Synonyms: [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-α-Hydroxy-β-[[[2-[(4-methoxyphenyl)methoxy]-1,1-dimethylethoxy]carbonyl]amino]benzenepropanoic Acid 12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester

Description

Applications An intermediate in partial synthesis of major human metabolites of Docetaxel (D494420), an antineoplastic.
References Commercon, A., et al.: Tetrahedron, 50, 10289 (1994),

• Brand: TRC

Chemical properties

• Molecular weight: 1294.82
• Formula: C₅₇H₆₃Cl₆NO₂₀
• Color/Form: White Solid
• InChI: InChI=1S/C57H63Cl6NO20/c1-29(2)48(75-25-32-19-21-35(74-8)22-20-32)83-49(70)64-40(33-15-11-9-12-16-33)41(66)47(69)79-36-24-55(73)45(82-46(68)34-17-13-10-14-18-34)43-53(7,44(67)42(39(30(36)3)52(55,5)6)81-51(72)78-28-57(61,62)63)37(80-50(71)77-27-56(58,59)60)23-38-54(43,26-76-38)84-31(4)65/h9-22,29,36-38,40-43,45,48,66,73H,23-28H2,1-8H3,(H,64,70)/t36-,37-,38+,40-,41+,42+,43-,45-,48?,53+,54-,55+/m0/s1
• InChI key: InChIKey=QEUAAIWYANCZDR-HIPGRHOOSA-N
• SMILES: COc1ccc(COCC(C)(C)OC(=O)N[C@@H](c2ccccc2)[C@@H](O)C(=O)O[C@H]2CC3(O)[C@@H](OC(=O)c4ccccc4)[C@H]4[C@](C)(C(=O)[C@H](OC(=O)OCC(Cl)(Cl)Cl)C(=C2C)C3(C)C)[C@@H](OC(=O)OCC(Cl)(Cl)Cl)C[C@H]2OC[C@]24OC(C)=O)cc1