8-Acetylneosolaniol

Base Information

Chemical Name:8-Acetylneosolaniol
CAS No.:65041-92-1
Molecular Formula:C₂₁H₂₈O₉
Molecular Weight:424.448
Hs Code.:
European Community (EC) Number:695-083-9
ChEMBL ID:CHEMBL152165
Metabolomics Workbench ID:138754
Nikkaji Number:J38.482H
Wikidata:Q76423420
Mol file:65041-92-1.mol

Synonyms:3 alpha hydroxy-4 beta,8 alpha,15-triacetoxy-12,13-epoxytrichothec-9-ene;neosolaniol

Suppliers and Price of 8-Acetylneosolaniol

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 8-Acetylneosolaniol

Chemical Property:

Vapor Pressure:7.67E-13mmHg at 25°C
Refractive Index:1.6230 (estimate)
Boiling Point:516.8°C at 760 mmHg
Flash Point:174.1°C
PSA：120.89000
Density:1.35g/cm³
LogP:0.66650
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:424.17333247
Heavy Atom Count:30
Complexity:821

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2C(CC1OC(=O)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C
Isomeric SMILES:CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C

Technology Process of 8-Acetylneosolaniol

There total 3 articles about 8-Acetylneosolaniol 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: 89.0%

: 118143-07-0
3α-(tert-Butyldimethylsiloxy)-4β,8α,15-triacetoxy-12,13-epoxytrichothec-9-ene

: 65041-92-1
8-acetyl-neosolaniol

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; for 1h; Ambient temperature;
DOI:10.1021/jm00123a008

Reference yield: 86.0%

: 36519-25-2
Neosolaniol

: 108-24-7
acetic anhydride

: 65725-06-6
Diacetylneosolaniol

: 65041-92-1
8-acetyl-neosolaniol

: 68165-53-7
3α,4β,15-Triacetoxy-8α-hydroxy-12,13-epoxytrichothec-9-ene

Guidance literature:: With pyridine; Ambient temperature;
DOI:10.1021/jm00123a008

Reference yield:

: 113706-92-6
3α-(tert-Butyldimethylsiloxy)-4β,15-triacetoxy-8α-hydroxy-12,13-epoxytrichothec-9-ene

: 65041-92-1
8-acetyl-neosolaniol

Guidance literature:: Multi-step reaction with 2 steps

1: 82 percent / triethylamine, 4-(dimethylamino)pyridine / CH₂Cl₂ / Ambient temperature

2: 89 percent / tetra-n-butylammonium fluoride / tetrahydrofuran / 1 h / Ambient temperature

With dmap; tetrabutyl ammonium fluoride; triethylamine; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm00123a008