o-Cinnamoyltaxicin-i triacetate

Base Information

Chemical Name:o-Cinnamoyltaxicin-i triacetate
CAS No.:13452-36-3
Molecular Formula:C₃₅H₄₂O₁₀
Molecular Weight:622.712
Hs Code.:
UNII:90GH5S97P8
Nikkaji Number:J511.496I
Wikidata:Q27271323
Metabolomics Workbench ID:123203
ChEMBL ID:CHEMBL128197

Synonyms:1-Hydroxytaxinine;o-Cinnamoyltaxicin-i triacetate;Taxicin I, triacetate, cinnamate;o-Cinnamoyltaxicin-i triacetate [MI];5-Cinnamoyltaxicin I 2,9,10-triacetate;UNII-90GH5S97P8;90GH5S97P8;Cinnamic acid, 5-ester with taxicin I, 2,9,10-triacetate;13452-36-3;2-Propenoic acid, 3-phenyl-, (3S,4aR,5S,6S,11R,12R,12aR)-5,11,12-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6-hydroxy-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-methanobenzocyclodecen-3-yl ester, (2E)-;5-Cinnamoyltriacetyltaxicin I;CHEMBL128197;Q27271323

Suppliers and Price of o-Cinnamoyltaxicin-i triacetate

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of o-Cinnamoyltaxicin-i triacetate

Chemical Property:

Vapor Pressure:5.31E-20mmHg at 25°C
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:622.27779753
Heavy Atom Count:45
Complexity:1320

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)(CC1=O)O)OC(=O)C)OC(=O)C=CC4=CC=CC=C4)C)OC(=O)C)OC(=O)C
Isomeric SMILES:CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@](C2(C)C)(CC1=O)O)OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)C)OC(=O)C)OC(=O)C

Technology Process of o-Cinnamoyltaxicin-i triacetate

There total 14 articles about o-Cinnamoyltaxicin-i triacetate 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: 13.0%

: C₃₅H₄₄O₁₁

: C₃₅H₄₂O₁₀

: 13452-36-3
2,9,10-triacetyl-5-O-cinnamoyltaxicin-I

Guidance literature:: With Burgess Reagent; In toluene; at 120 ℃; for 1h;
DOI:10.1002/anie.201906872

Reference yield:

: C₃₇H₄₈O₁₀Si

: 13452-36-3
2,9,10-triacetyl-5-O-cinnamoyltaxicin-I

Guidance literature:: With pyridine hydrogenfluoride; In tetrahydrofuran; at 20 ℃; for 19h;
DOI:10.1002/anie.201906872

Reference yield:

: C₂₄H₃₄O₆

: 13452-36-3
2,9,10-triacetyl-5-O-cinnamoyltaxicin-I

Guidance literature:: Multi-step reaction with 7 steps

1.1: osmium(VIII) oxide; 4-methylmorpholine N-oxide / water; acetone / 13 h / 20 °C

2.1: triethylamine; dmap; 2,4,6-trichlorobenzoyl chloride / toluene / 1 h / 20 °C

3.1: pyridinium chlorochromate / dichloromethane / 16 h / 20 °C / Molecular sieve

4.1: tetrahydrofuran; diethyl ether / 4 h / -60 - -30 °C

4.2: 23 h / 50 °C

4.3: 1.5 h / 20 °C

5.1: 1H-imidazole / N,N-dimethyl-formamide / 1 h / 0 °C

6.1: Burgess Reagent / toluene / 0.5 h / 120 °C

7.1: pyridine hydrogenfluoride / tetrahydrofuran / 19 h / 20 °C

With 1H-imidazole; dmap; osmium(VIII) oxide; Burgess Reagent; 2,4,6-trichlorobenzoyl chloride; pyridine hydrogenfluoride; 4-methylmorpholine N-oxide; triethylamine; pyridinium chlorochromate; In tetrahydrofuran; diethyl ether; dichloromethane; water; N,N-dimethyl-formamide; acetone; toluene;
DOI:10.1002/anie.201906872