5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-((phenylthio)acetyl)-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-

Base Information

Chemical Name:5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-((phenylthio)acetyl)-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
CAS No.:77270-20-3
Molecular Formula:C35H32F3NO11S
Molecular Weight:731.6889
Hs Code.:
DSSTox Substance ID:DTXSID60998515

5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-((phenylthio)acetyl)-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-

Synonyms:77270-20-3;N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin;DTXSID60998515;5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-((phenylthio)acetyl)-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-;7,8,9,10-Tetrahydro-6,8,11-trihydroxy-1-methoxy-8-((phenylthio)acetyl)-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione (8S-cis)-;3,5,12-Trihydroxy-10-methoxy-6,11-dioxo-3-[(phenylsulfanyl)acetyl]-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(2,2,2-trifluoro-1-hydroxyethylidene)amino]hexopyranoside

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

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Chemical Property of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-((phenylthio)acetyl)-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-

Chemical Property:

Vapor Pressure:2.33E-34mmHg at 25°C
Boiling Point:894.2°Cat760mmHg
Flash Point:494.6°C
Density:1.59g/cm³
XLogP3:5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:8
Exact Mass:731.16481650
Heavy Atom Count:51
Complexity:1330

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CSC6=CC=CC=C6)O)NC(=O)C(F)(F)F)O

Technology Process of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-((phenylthio)acetyl)-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-

There total 2 articles about 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-((phenylthio)acetyl)-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)- 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: 93.0%

: 77270-18-9
N-(trifluoroacetyl)-14-bromodaunorubicin

: 108-98-5
thiophenol

: 77270-20-3
14-(phenylthio)-N-(trifluoroacetyl)daunorubicin

Guidance literature:: With potassium carbonate; In ethanol; for 0.5h; Ambient temperature;
DOI:10.1021/jo00325a038

Reference yield:

: 65026-79-1
14-bromodaunorubicin

: 77270-20-3
14-(phenylthio)-N-(trifluoroacetyl)daunorubicin

Guidance literature:: Multi-step reaction with 2 steps

1: 31 percent / ethyl acetate / 0.17 h / Ambient temperature

2: 93 percent / K₂CO₃ / ethanol / 0.5 h

With potassium carbonate; In ethanol; ethyl acetate;
DOI:10.1021/jm00355a003