Baccatin III 13-(S-3-phenyllactate)

Base Information

Chemical Name:Baccatin III 13-(S-3-phenyllactate)
CAS No.:131896-66-7
Molecular Formula:C40H46 O13
Molecular Weight:734.797
Hs Code.:
ChEMBL ID:CHEMBL265590
DSSTox Substance ID:DTXSID401026104
Nikkaji Number:J380.621I

Synonyms:Baccatin III 13-(S-3-phenyllactate);CHEMBL265590;DTXSID401026104;131896-66-7

Suppliers and Price of Baccatin III 13-(S-3-phenyllactate)

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of Baccatin III 13-(S-3-phenyllactate)

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:12
Exact Mass:734.29384152
Heavy Atom Count:53
Complexity:1510

Purity/Quality:

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)(CC1OC(=O)C(CC5=CC=CC=C5)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)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]1OC(=O)[C@H](CC5=CC=CC=C5)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C

Technology Process of Baccatin III 13-(S-3-phenyllactate)

There total 3 articles about Baccatin III 13-(S-3-phenyllactate) 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:

: C₄₆H₅₀Cl₆O₁₆

: 131896-66-7
baccatin III 13-(S-3-phenyllactate)

Guidance literature:: With acetic acid; zinc; In methanol; at 40 ℃; for 5h; Yield given;
DOI:10.1021/jm00107a042

Reference yield:

: 103150-33-0
7-(2,2,2-trichloroethyloxycarbonyl)baccatin III

: 131896-66-7
baccatin III 13-(S-3-phenyllactate)

Guidance literature:: Multi-step reaction with 2 steps

1: dipyridyl carbonate, 4-(dimethylamino)pyridine / toluene / 48 h / 70 °C

2: Zn, AcOH / methanol / 5 h / 40 °C

With dmap; 2,2'-dipyridyl carbonate; acetic acid; zinc; In methanol; toluene;
DOI:10.1021/jm00107a042

Reference yield:

: 131760-63-9
(S)-3-Phenyl-2-(2,2,2-trichloro-ethoxymethoxy)-propionic acid

: 131896-66-7
baccatin III 13-(S-3-phenyllactate)

Guidance literature:: Multi-step reaction with 2 steps

1: dipyridyl carbonate, 4-(dimethylamino)pyridine / toluene / 48 h / 70 °C

2: Zn, AcOH / methanol / 5 h / 40 °C

With dmap; 2,2'-dipyridyl carbonate; acetic acid; zinc; In methanol; toluene;
DOI:10.1021/jm00107a042