Mexicanin I

Base Information

Chemical Name:Mexicanin I
CAS No.:5945-41-5
Molecular Formula:C15H18O4
Molecular Weight:262.301
Hs Code.:
DSSTox Substance ID:DTXSID001318309
Nikkaji Number:J15.911E
Wikidata:Q27107356
ChEMBL ID:CHEMBL486996
Mol file:5945-41-5.mol

Synonyms:Mexicanin I;5945-41-5;Mexicanin-I;CHEBI:6915;NSC 136050;(3aS,5R,5aR,8aR,9R,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione;CHEMBL486996;SCHEMBL17238871;DTXSID001318309;BDBM50433458;C09504;Q27107356;Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, (3aS-(3aalpha,4beta,4abeta,7aalpha,8alpha,9abeta))-

Suppliers and Price of Mexicanin 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 2 raw suppliers

Chemical Property of Mexicanin I

Chemical Property:

Vapor Pressure:6.18E-11mmHg at 25°C
Boiling Point:473°Cat760mmHg
Flash Point:179.9°C
PSA：63.60000
Density:1.25g/cm³
LogP:1.24630
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:262.12050905
Heavy Atom Count:19
Complexity:506

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC2C(C(C3(C1C=CC3=O)C)O)C(=C)C(=O)O2
Isomeric SMILES:C[C@@H]1C[C@H]2[C@H]([C@H]([C@]3([C@H]1C=CC3=O)C)O)C(=C)C(=O)O2

Technology Process of Mexicanin I

There total 20 articles about Mexicanin 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: 78.0%

: 68241-57-6,70913-24-5,73407-90-6
(3aα,4β,4aβ,5β,7aα,8α,9aβ)-3a,4,4a,5,7a,8,9,9a-Octahydro-4,5-dihydroxy-3-methylene-4a,8-dimethylazuleno<6,5-b>-furan-2(3H)-one

: 5945-41-5,6754-13-8,68330-47-2,70981-15-6,73465-49-3,73680-94-1,97643-91-9,97995-99-8,110716-87-5
dl-Mexicanin I

Guidance literature:: With manganese(IV) oxide; In dichloromethane; benzene; for 0.5h; Ambient temperature;
DOI:10.1021/jo00151a016

Reference yield: 77.0%

: 68241-57-6,70913-24-5,73407-90-6
(3aα,4α,4aβ,5β,7aα,8α,9aβ)-3a,4,4a,5,7a,8,9,9a-Octahydro-4,5-dihydroxy-3-methylene-4a,8-dimethylazuleno<6,5-b>-furan-2(3H)-one

: 5945-41-5,6754-13-8,68330-47-2,70981-15-6,73465-49-3,73680-94-1,97643-91-9,97995-99-8,110716-87-5
(3aα,4α,4aβ,7aα,8α,9aβ)-3,3a,4,4a,6,8,9,9a-Octahydro-4-hydroxy-4a,8-dimethyl-3-methyleneazuleno<6,5-b>furan-2,5-dione

Guidance literature:: With manganese(IV) oxide; In dichloromethane; benzene; for 0.5h; Ambient temperature;
DOI:10.1021/jo00151a016

Reference yield:

: 68257-98-7,70913-23-4
(3aα,4α,4aβ,5β,7aα,8α,9aβ)-3a,4,4a,5,7a,8,9,9a-Octahydro-4,5-dihydroxy-4a,8-dimethylazuleno<6,5-b>furan-2(3H)-one

: 5945-41-5,6754-13-8,68330-47-2,70981-15-6,73465-49-3,73680-94-1,97643-91-9,97995-99-8,110716-87-5
(3aα,4α,4aβ,7aα,8α,9aβ)-3,3a,4,4a,6,8,9,9a-Octahydro-4-hydroxy-4a,8-dimethyl-3-methyleneazuleno<6,5-b>furan-2,5-dione

Guidance literature:: Multi-step reaction with 6 steps

1: 76 percent / p-TsOH / CH₂Cl₂ / 2 h / 0 °C

3: pyridine / 2 h / 0 °C

4: 1,5-Diazabicyclo<5.4.0>undec-5-ene / benzene / 1 h / Ambient temperature

5: 82 percent / acetic acid; H₂O / 1.5 h / 45 °C

6: 77 percent / Manganese dioxide / CH₂Cl₂; benzene / 0.5 h / Ambient temperature

With manganese(IV) oxide; toluene-4-sulfonic acid; 1,5-Diazabicyclo[5.4.0]undec-5-ene; In pyridine; dichloromethane; water; acetic acid; benzene;
DOI:10.1021/jo00151a016