Baccatin III 7-O-Triflate

Base Information Edit

Chemical Name:Baccatin III 7-O-Triflate
CAS No.:158811-19-9
Molecular Formula:C₃₂H₃₇F₃O₁₃S
Molecular Weight:718.699
Hs Code.:
DSSTox Substance ID:DTXSID80447070
Wikidata:Q82265849
Mol file:158811-19-9.mol

Synonyms:Baccatin III 7-O-Triflate;158811-19-9;7-O-(Trifluoroacetyl) Baccatin III;[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-(trifluoromethylsulfonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;SCHEMBL4616741;DTXSID80447070;7-O-(Trifluoroacetyl)baccatin iii;ethano-1H-cyclodeca[3,4]benz[1,2-b]oxet-4-yl Ester;Trifluoro-methanesulfonic Acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-m

Suppliers and Price of Baccatin III 7-O-Triflate

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of Baccatin III 7-O-Triflate Edit

Chemical Property:

PSA：197.41000
LogP:3.60730
Storage Temp.:-20°C Freezer
Solubility.:Chloroform, Dichloromethane, Ethyl Acetate
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:9
Exact Mass:718.19069689
Heavy Atom Count:49
Complexity:1550

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OS(=O)(=O)C(F)(F)F)C)OC(=O)C
Isomeric SMILES:CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OS(=O)(=O)C(F)(F)F)C)OC(=O)C

Technology Process of Baccatin III 7-O-Triflate

There total 8 articles about Baccatin III 7-O-Triflate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%