Eudesmatrienolide, acetate

Base Information

• Chemical Name: Eudesmatrienolide, acetate
• CAS No.: 6308-44-7
• Molecular Formula: C17H20O4
• Molecular Weight: 288.3383
• NSC Number: 42037
• DSSTox Substance ID: DTXSID50285481
• Wikidata: Q82020866
• ChEMBL ID: CHEMBL4089397
• Mol file: 6308-44-7.mol

Synonyms:NSC42037;6308-44-7;EUDESMATRIENOLIDE, ACETATE;Eudesmatrienolide, 3-hydroxy-;CHEMBL4089397;DTXSID50285481;NSC-42037

Chemical Property of Eudesmatrienolide, acetate

Chemical Property:

• Vapor Pressure: 8.68E-09mmHg at 25°C
• Boiling Point: 464°Cat760mmHg
• Flash Point: 237.4°C
• Density: 1.21g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 288.13615911
• Heavy Atom Count: 21
• Complexity: 648

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2CCC3(CCC(=C(C3=C2OC1=O)C)OC(=O)C)C
• Isomeric SMILES: CC1=C2CC[C@]3(CCC(=C(C3=C2OC1=O)C)OC(=O)C)C

Technology Process of Eudesmatrienolide, acetate

There total 7 articles about Eudesmatrienolide, acetate 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:

acetic anhydride (108-24-7) + santonin (481-06-1) → 3,5a,9-[trimethyl-2-oxo-2,4,5,5a,6,7-hexahydronaphtho[1,2-b]furan-8-yl] acetate (6308-44-7) + α-desmotroposantonin acetate (14794-69-5)

Guidance literature:

With acetyl chloride;

DOI:10.1039/jr9550004430

Reference yield:

Acetyl bromide (506-96-7) + santonin (481-06-1) → 3,5a,9-[trimethyl-2-oxo-2,4,5,5a,6,7-hexahydronaphtho[1,2-b]furan-8-yl] acetate (6308-44-7)

Guidance literature:

In dichloromethane; at 20 ℃; for 3h;

DOI:10.1016/j.ejmech.2016.11.018

Reference yield:

β-santonin (481-07-2) → 3,5a,9-[trimethyl-2-oxo-2,4,5,5a,6,7-hexahydronaphtho[1,2-b]furan-8-yl] acetate (6308-44-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; xylene

2: acetyl chloride

With potassium carbonate; acetyl chloride; xylene;

DOI:10.1039/jr9550004430

upstream raw materials:

acetic anhydride

santonin

acetyl chloride

β-santonin

Refernces

• 1、 Chinthakindi, Praveen K.,Singh, Jasvinder,Gupta, Shilpa,Nargotra, Amit,Mahajan, Priya,Kaul, Anupurna,Ahmed, Zabeer,Koul, Surrinder,Sangwan, Payare L.. "Synthesis of α-santonin derivatives for diminutive effect on T and B-cell proliferation and their structure activity relationships". . p. 1047 - 1058. Retrieved 2017/02/12.