Isobatatasin I

Base Information

Chemical Name:Isobatatasin I
CAS No.:39499-84-8
Molecular Formula:C₁₇H₁₆O₄
Molecular Weight:284.312
Hs Code.:
DSSTox Substance ID:DTXSID80331920
Nikkaji Number:J2.432.107J
Wikidata:Q27106960
Metabolomics Workbench ID:69422

Synonyms:Isobatatasin I;3,5,7-trimethoxyphenanthren-2-ol;39499-84-8;C10265;AC1L9D9W;CHEBI:5983;DTXSID80331920;2-hydroxy-3,5,7-trimethoxyphenanthrene;Q27106960

Suppliers and Price of Isobatatasin I

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 0 raw suppliers

Chemical Property of Isobatatasin I

Chemical Property:

Vapor Pressure:2.27E-10mmHg at 25°C
Boiling Point:493.7°C at 760 mmHg
Flash Point:252.4°C
PSA：47.92000
Density:1.246g/cm³
LogP:3.72440
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:284.10485899
Heavy Atom Count:21
Complexity:348

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=C2C(=C1)C=CC3=CC(=C(C=C32)OC)O)OC

Technology Process of Isobatatasin I

There total 5 articles about Isobatatasin I 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: 79.0%

: 796843-37-3
2-(benzyloxy)-3,5,7-trimethoxyphenanthrene

: 39499-84-8
7-hydroxy-2,4,6-trimethoxyphenanthrene

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethyl acetate; under 760 Torr;
DOI:10.1002/chem.200400220

Reference yield:

: 796843-31-7
4-benzyloxy-5,2',4'-trimethoxy-biphenyl-2-carbaldehyde

: 39499-84-8
7-hydroxy-2,4,6-trimethoxyphenanthrene

Guidance literature:: Multi-step reaction with 3 steps

1.1: LDA / tetrahydrofuran; hexane / -78 °C

1.2: 79 percent / tetrahydrofuran; hexane / -78 - 20 °C

2.1: 73 percent / PtCl₂ / toluene / 80 °C

3.1: 79 percent / H₂ / Pd/C / ethyl acetate / 760 Torr

With hydrogen; lithium diisopropyl amide; palladium on activated charcoal; platinum(II) chloride; In tetrahydrofuran; hexane; ethyl acetate; toluene;
DOI:10.1002/chem.200400220

Reference yield:

: 796843-35-1
4-(benzyloxy)-2-ethynyl-2',4',5-trimethoxybiphenyl

: 39499-84-8
7-hydroxy-2,4,6-trimethoxyphenanthrene

Guidance literature:: Multi-step reaction with 2 steps

1: 73 percent / PtCl₂ / toluene / 80 °C

2: 79 percent / H₂ / Pd/C / ethyl acetate / 760 Torr

With hydrogen; palladium on activated charcoal; platinum(II) chloride; In ethyl acetate; toluene;
DOI:10.1002/chem.200400220