2’,7-Bis-O-{[(2,2,2,-Trichloroethyl)oxy]carbonyl Paclitaxel

CAS: 100449-86-3

Ref. TR-B585435

Product Information

• Name: 2’,7-Bis-O-{[(2,2,2,-Trichloroethyl)oxy]carbonyl Paclitaxel
• Synonyms: 2',7-Bis[(2,2,2-trichloroethoxy)carbonyl]taxol, [2aR-[2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS*),11alpha,12alpha,12aalpha,12balpha]]-beta-(Benzoylamino)-alpha-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-benzenepropanoic Acid 6,12b-Bis(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-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester
• CAS: 100449-86-3

Description

Applications 2’,7-Bis-O-{[(2,2,2,-Trichloroethyl)oxy]carbonyl Paclitaxel (cas# 100449-86-3) is a byproduct in the synthesis of 7-O-(Triethylsilyl) Paclitaxel (T778055), which is a Protected Paclitaxel. Paclitaxel - Impurity K.
References Kerns, E., et al.: J. Nat. Products, 57, 1391 (1994), Golik, J., et al.: Bioorg. Med. Chem. Lett., 6, 1837 (1996),

• Brand: TRC

Chemical properties

• Molecular weight: 1204.7
• Formula: C₅₃H₅₃Cl₆NO₁₈
• Color/Form: White Solid
• InChI: InChI=1S/C53H53Cl6NO18/c1-27-33(74-45(66)39(76-47(68)72-26-53(57,58)59)37(30-16-10-7-11-17-30)60-43(64)31-18-12-8-13-19-31)23-51(69)42(77-44(65)32-20-14-9-15-21-32)40-49(6,41(63)38(73-28(2)61)36(27)48(51,4)5)34(75-46(67)71-25-52(54,55)56)22-35-50(40,24-70-35)78-29(3)62/h7-21,33-35,37-40,42,69H,22-26H2,1-6H3,(H,60,64)/t33-,34-,35+,37-,38+,39+,40-,42-,49+,50-,51+/m0/s1
• InChI key: InChIKey=OQFBSZMVMFMSTB-DOWBJONWSA-N
• SMILES: CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)OCC(Cl)(Cl)Cl)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C