3-Methoxy-2-methyl-2,5,7-trihydroxy-3,4-dihydro-1,6,11(2H)-naphthacenetrione

Base Information

Chemical Name:3-Methoxy-2-methyl-2,5,7-trihydroxy-3,4-dihydro-1,6,11(2H)-naphthacenetrione
CAS No.:68178-51-8
Molecular Formula:C20H16O7
Molecular Weight:368.34
Hs Code.:
DSSTox Substance ID:DTXSID20987682
Nikkaji Number:J19.250C
Wikidata:Q82975998
Mol file:68178-51-8.mol

Synonyms:Antibiotic SM 173B;SM-173B;BRN 5639838;68178-51-8;3-Methoxy-2-methyl-2,5,7-trihydroxy-3,4-dihydro-1,6,11(2H)-naphthacenetrione;1,6,11(2H)-Naphthacenetrione, 3,4-dihydro-2,5,7-trihydroxy-3-methoxy-2-methyl-;DTXSID20987682;LS-94139;2,5,7-Trihydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11(2H)-trione

Suppliers and Price of 3-Methoxy-2-methyl-2,5,7-trihydroxy-3,4-dihydro-1,6,11(2H)-naphthacenetrione

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
Packaging
price

Total 2 raw suppliers

Chemical Property of 3-Methoxy-2-methyl-2,5,7-trihydroxy-3,4-dihydro-1,6,11(2H)-naphthacenetrione

Chemical Property:

Vapor Pressure:1.29E-18mmHg at 25°C
Boiling Point:665.4°C at 760 mmHg
Flash Point:243.4°C
PSA：121.13000
Density:1.59g/cm³
LogP:1.37800
XLogP3:2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:368.08960285
Heavy Atom Count:27
Complexity:675

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(CC2=C(C3=C(C=C2C1=O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC)O

Technology Process of 3-Methoxy-2-methyl-2,5,7-trihydroxy-3,4-dihydro-1,6,11(2H)-naphthacenetrione

There total 1 articles about 3-Methoxy-2-methyl-2,5,7-trihydroxy-3,4-dihydro-1,6,11(2H)-naphthacenetrione 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: 66.0%

: 94620-53-8
(2S,3S)-2-Hydroxy-3,5,7-trimethoxy-2-methyl-3,4-dihydro-2H-naphthacene-1,6,11-trione

: 68178-51-8,94730-06-0
aglycon SM-173B

Guidance literature:: With aluminium trichloride; In chloroform; at 25 ℃; for 1h;
DOI:10.1021/jo00205a046

Reference yield:

: 68178-51-8,94730-06-0
aglycon SM-173B

: 94620-56-1,94620-57-2
Benzoic acid (2S,3S)-3,10,12-trihydroxy-2-methoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-naphthacen-1-yl ester

Guidance literature:: Multi-step reaction with 2 steps

1: N-bromosuccinimide (NBS) / CCl₄ / 1 h / 40 - 45 °C / Irradiation

2: benzene / 0.33 h / 25 °C

With N-Bromosuccinimide; In tetrachloromethane; benzene;
DOI:10.1021/jo00205a046

Reference yield:

: 68178-51-8,94730-06-0
aglycon SM-173B

: 94620-41-4,95722-75-1
(+/-)-aranciamycinone

Guidance literature:: Multi-step reaction with 3 steps

1: N-bromosuccinimide (NBS) / CCl₄ / 1 h / 40 - 45 °C / Irradiation

2: benzene / 0.33 h / 25 °C

3: 1percent KOH / tetrahydrofuran; H₂O / 0.5 h / 25 °C

With potassium hydroxide; N-Bromosuccinimide; In tetrahydrofuran; tetrachloromethane; water; benzene;
DOI:10.1021/jo00205a046