Deoxyfrenolicin

Base Information

Chemical Name:Deoxyfrenolicin
CAS No.:10023-11-7
Molecular Formula:C₁₈H₁₈O₆
Molecular Weight:330.337
Hs Code.:
UNII:L0RG5J840S
DSSTox Substance ID:DTXSID90143036
Nikkaji Number:J821.379H
Wikidata:Q27282560
Metabolomics Workbench ID:134187
ChEMBL ID:CHEMBL444165
Mol file:10023-11-7.mol

Synonyms:deoxyfrenolicin

Suppliers and Price of Deoxyfrenolicin

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 5 raw suppliers

Chemical Property of Deoxyfrenolicin

Chemical Property:

Vapor Pressure:1.74E-15mmHg at 25°C
Boiling Point:604.9°C at 760 mmHg
Flash Point:223.5°C
PSA：100.90000
Density:1.4g/cm³
LogP:2.50010
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:330.11033829
Heavy Atom Count:24
Complexity:592

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O
Isomeric SMILES:CCC[C@@H]1C2=C(C[C@H](O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O

Technology Process of Deoxyfrenolicin

There total 7 articles about Deoxyfrenolicin 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: 92.0%

: 10023-13-9
Desoxyfrenolicin-methylester

: 10023-11-7
Deoxyfrenolicin

Guidance literature:: With lithium hydroxide; water; In tetrahydrofuran; Ambient temperature;
DOI:10.1002/hlca.19970800104

Reference yield:

: C₁₈H₁₈O₅

: 10023-11-7
Deoxyfrenolicin

: 1415682-81-3
2-((1S,3S)-9-hydroxy-5,10-dioxo-1-propyl-3,4,5,10-tetrahydro-1H-benzo[g]isochromen-3-yl)acetic acid

Guidance literature:: With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; In water; acetone; tert-butyl alcohol; at 20 ℃; for 3h; Overall yield = 72 %; Overall yield = 9 mg;
DOI:10.1016/j.tet.2012.10.012