Desmotroposantonine, acetate

Base Information

• Chemical Name: Desmotroposantonine, acetate
• CAS No.: 14794-69-5
• Molecular Formula: C₁₇H₂₀O₄
• Molecular Weight: 288.343
• NSC Number: 41307
• DSSTox Substance ID: DTXSID90933252
• Mol file: 14794-69-5.mol

Synonyms:DESMOTROPOSANTONINE, ACETATE;NSC41307;14794-69-5;14794-71-9;(+)-beta-Desmotroposantonin acetate;(-)-alpha-Desmotroposantonin acetate;SCHEMBL23662701;DTXSID90933252;NSC-41307;(+).beta.-Desmotroposantonin acetate;(-).alpha.-Desmotroposantonin acetate;3,6,9-trimethyl-2-oxo-2,3,3a,4,5,9b-hexahydronaphtho[1,2-b]furan-8-yl acetate

Chemical Property of Desmotroposantonine, acetate

Chemical Property:

• Vapor Pressure: 4.38E-08mmHg at 25°C
• Boiling Point: 444.1°C at 760 mmHg
• Flash Point: 225.1°C
• Density: 1.161g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 288.13615911
• Heavy Atom Count: 21
• Complexity: 446

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C2CCC3=C(C2OC1=O)C(=C(C=C3C)OC(=O)C)C

Technology Process of Desmotroposantonine, acetate

There total 11 articles about Desmotroposantonine, 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: 92.0%

acetic anhydride (108-24-7) + santonin (481-06-1) → α-desmotroposantonin acetate (14794-69-5)

Guidance literature:

With sulfuric acid; at 0 ℃; for 1h;

DOI:10.1016/j.ejmech.2016.05.018

Reference yield:

2-(7-hydroxy-5,8-dimethyl-1-oxo-1,2,3,4-tetrahydro-[2]naphthyl)-propionic acid (858438-41-2) → (+/-)-O-Acetyl-α-desmotroposantonin (2791-39-1,6339-71-5,14794-69-5,14794-71-9,16963-60-3,54192-31-3,54192-32-4,108590-46-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH solution; sodium-amalgam / Erwaermen der angesaeuerten Reaktionsloesung

2: sodium acetate

With sodium hydroxide; sodium amalgam; sodium acetate;

Reference yield:

β-santonin (481-07-2) → α-desmotroposantonin acetate (14794-69-5)

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

β-santonin

(+/-)-α-Desmotroposantonin

Downstream raw materials:

(-)-α-desmotroposantonin