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

CAS: 160651-89-8

Ref. TR-D422225

Product Information

• Name: N-Des-t-boc-N-2-(1-hydroxy-2-methyl)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-hydroxy-1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic Acid 12b-(Acetyloxy)-12-

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: 1174.67
• Formula: C₄₉H₅₅Cl₆NO₁₉
• Color/Form: White Solid
• InChI: InChI=1S/C49H55Cl6NO19/c1-23(2)38(60)74-41(63)56-32(26-14-10-8-11-15-26)33(58)40(62)70-28-19-47(66)37(73-39(61)27-16-12-9-13-17-27)35-45(7,36(59)34(31(24(28)3)44(47,5)6)72-43(65)69-22-49(53,54)55)29(71-42(64)68-21-48(50,51)52)18-30-46(35,20-67-30)75-25(4)57/h8-17,23,28-30,32-35,37-38,58,60,66H,18-22H2,1-7H3,(H,56,63)/t28-,29-,30+,32-,33+,34+,35-,37-,38?,45+,46-,47+/m0/s1
• InChI key: InChIKey=OEIBKTAURUUWGN-VHEBJBKXSA-N
• SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@@]1(C)C(=O)[C@H](OC(=O)OCC(Cl)(Cl)Cl)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)CO)c4ccccc4)CC(O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C