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Thunberginol B

Base Information Edit
  • Chemical Name:Thunberginol B
  • CAS No.:147666-81-7
  • Molecular Formula:C15H10 O6
  • Molecular Weight:286.24
  • Hs Code.:
  • NSC Number:725013
  • UNII:D2866L3MW5
  • DSSTox Substance ID:DTXSID90163774
  • Nikkaji Number:J507.258A
  • Wikipedia:Thunberginol_B
  • Wikidata:Q7798879
  • Pharos Ligand ID:9S3QFQA64RP5
  • Metabolomics Workbench ID:143459
  • ChEMBL ID:CHEMBL70501
  • Mol file:147666-81-7.mol
Thunberginol B

Synonyms:thunberginol B

Suppliers and Price of Thunberginol B
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
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Total 0 raw suppliers
Chemical Property of Thunberginol B Edit
Chemical Property:
  • Vapor Pressure:3.05E-18mmHg at 25°C 
  • Boiling Point:664.1°Cat760mmHg 
  • Flash Point:257.9°C 
  • PSA:111.13000 
  • Density:1.654g/cm3 
  • LogP:2.28240 
  • XLogP3:2.7
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:6
  • Rotatable Bond Count:1
  • Exact Mass:286.04773803
  • Heavy Atom Count:21
  • Complexity:447
Purity/Quality:
Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=CC(=C(C=C1C2=CC3=CC(=CC(=C3C(=O)O2)O)O)O)O
Technology Process of Thunberginol B

There total 10 articles about Thunberginol B 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:
Guidance literature:
With boron tribromide; In dichloromethane; at -78 - 20 ℃; Inert atmosphere;
DOI:10.1248/cpb.56.1264
Guidance literature:
With boron tribromide; In dichloromethane; at 20 ℃; for 72h;
DOI:10.1016/S0040-4020(03)00212-6
Guidance literature:
Multi-step reaction with 5 steps
1: 94 percent / NaH / dimethylformamide / 2 h / 20 °C
2: 85 percent / ZnCl2; Pd2(dba)3; dppf / tetrahydrofuran / 17 h / 0 - 60 °C
3: 67 percent / I2 / acetonitrile / 2 h / 20 °C
4: 98 percent / formic acid; Et3N; PPh3 / Pd(OAc)2 / dimethylformamide / 60 - 63 °C
5: 81 percent / BBr3 / CH2Cl2 / 72 h / 20 °C
With 1,1'-bis-(diphenylphosphino)ferrocene; formic acid; tris(dibenzylideneacetone)dipalladium (0); iodine; boron tribromide; sodium hydride; triethylamine; triphenylphosphine; zinc(II) chloride; palladium diacetate; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/S0040-4020(03)00212-6
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