Nagilactone F

Base Information

• Chemical Name: Nagilactone F
• CAS No.: 36912-00-2
• Molecular Formula: C19H24O4
• Molecular Weight: 316.3915
• Nikkaji Number: J18.348B
• Wikidata: Q27136789
• Metabolomics Workbench ID: 124369
• ChEMBL ID: CHEMBL1765574
• Mol file: 36912-00-2.mol

Synonyms:NAGILACTONE F;36912-00-2;CHEMBL1765574;CHEBI:68293;(1S,6R,9R,12S,16R)-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione;BDBM50341205;NSC 251688;Q27136789;(3aS,5aR,7R,10bS,10cR)-3a,10b-dimethyl-7-(propan-2-yl)-1,2,3,3a,5a,7,10b,10c-octahydro-4H,9H-[2]benzofuro[7,1-fg]isochromene-4,9-dione

Chemical Property of Nagilactone F

Chemical Property:

• Vapor Pressure: 1.45E-11mmHg at 25°C
• Boiling Point: 536°Cat760mmHg
• Flash Point: 278.8°C
• PSA: 52.60000
• Density: 1.2g/cm³
• LogP: 3.17230
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 316.16745924
• Heavy Atom Count: 23
• Complexity: 658

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1C2=CC3C4C(C2=CC(=O)O1)(CCCC4(C(=O)O3)C)C
• Isomeric SMILES: CC(C)[C@@H]1C2=C[C@@H]3[C@@H]4[C@@](C2=CC(=O)O1)(CCC[C@@]4(C(=O)O3)C)C

Technology Process of Nagilactone F

There total 25 articles about Nagilactone F 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: 100.0%

(3aS,3a(1)R,5aR,7R,10bS)-3a,10b-dimethyl-7-(prop-1-en-2-yl)-1,2,3,3a,7,10b-hexahydro-isobenzofuro[7,1-fg]isochromene-4,9(3a(1)H,5aH)-dione (1191942-16-1) → nagilactone F (36912-00-2)

Guidance literature:

With Wilkinson's catalyst; hydrogen; In toluene; at 20 ℃; for 6h; under 760.051 Torr; Inert atmosphere;

DOI:10.1021/ol901896c

Reference yield: 97.0%

(3aS,5aS,6S,7R,10bS,10cR)-6-Hydroxy-7-isopropyl-3a,10b-dimethyl-1,2,3,3a,5a,6,7,10,10b,10c-decahydro-5,8-dioxa-acephenanthrylene-4,9-dione (73616-59-8) → nagilactone F (36912-00-2)

Guidance literature:

With methanesulfonyl chloride; In pyridine; for 6h; Heating;

DOI:10.1021/jo00139a007

Reference yield: 91.0%

(3aS,5aR,7R,10S,10aR,10bS,10cR)-7-Isopropyl-3a,10b-dimethyl-10-phenylselanyl-1,2,3,3a,5a,7,10,10a,10b,10c-decahydro-5,8-dioxa-acephenanthrylene-4,9-dione → nagilactone F (36912-00-2)

Guidance literature:

With (+)-[(8,8-dichlorocamphoryl)sulfonyl]oxaziridine; In chloroform; at 0 - 23 ℃;

DOI:10.1016/S0040-4039(00)76743-8

upstream raw materials:

(1R,4bS,8S,8aR)-1-Isopropyl-4b,8-dimethyl-3-oxo-3,4b,5,6,7,8,8a,9-octahydro-1H-2-oxa-phenanthrene-8-carboxylic acid

(3aS,5aS,6S,7R,10bS,10cR)-6-Hydroxy-7-isopropyl-3a,10b-dimethyl-1,2,3,3a,5a,6,7,10,10b,10c-decahydro-5,8-dioxa-acephenanthrylene-4,9-dione

isopropylmagnesium bromide

(3aS,3a⁽¹⁾R,5aR,10bS)-3a,10b-dimethyl-1,2,3,3a,7,10b-hexahydroisobenzofuro[7,1-fg]isochromene-4,9(3a⁽¹⁾H,5aH)-dione

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