Magnolialide

Base Information

• Chemical Name: Magnolialide
• CAS No.: 72145-13-2
• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.322
• DSSTox Substance ID: DTXSID10348400
• Nikkaji Number: J19.545F
• Wikidata: Q82123173
• Mol file: 72145-13-2.mol

Synonyms:magnolialide

Chemical Property of Magnolialide

Chemical Property:

• Vapor Pressure: 3.26E-09mmHg at 25°C
• Boiling Point: 430.4°Cat760mmHg
• Flash Point: 184°C
• PSA: 46.53000
• Density: 1.17g/cm³
• LogP: 2.35550
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 248.14124450
• Heavy Atom Count: 18
• Complexity: 462

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C2C3C(CCC2(C(CC1)O)C)C(=C)C(=O)O3
• Isomeric SMILES: CC1=C2[C@@H]3[C@@H](CC[C@]2([C@@H](CC1)O)C)C(=C)C(=O)O3

Technology Process of Magnolialide

There total 2 articles about Magnolialide 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:

C15H20O3 → reynosin (28254-53-7,29424-04-2,88153-66-6,125290-04-2) + santamarine (4290-13-5,16886-36-5,125290-03-1,11016-81-2,6895-45-0) + 1β-hydroxy-5α,6β,7αH-eudesma-4(5),11(13)-dien-12,6-olide (95782-68-6,125356-46-9,72145-13-2)

Guidance literature:

With silica gel; In hexane; ethyl acetate;

DOI:10.1016/j.phytol.2019.04.014

Reference yield:

costunolide (553-21-9) → reynosin (28254-53-7,29424-04-2,88153-66-6,125290-04-2) + santamarine (4290-13-5,16886-36-5,125290-03-1,11016-81-2,6895-45-0) + 1β-hydroxy-5α,6β,7αH-eudesma-4(5),11(13)-dien-12,6-olide (95782-68-6,125356-46-9,72145-13-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 2 h / 20 °C

2: silica gel / hexane; ethyl acetate

With silica gel; 3-chloro-benzenecarboperoxoic acid; In hexane; dichloromethane; ethyl acetate;

DOI:10.1016/j.phytol.2019.04.014

Reference yield:

1β-hydroxy-5α,6β,7αH-eudesma-4(5),11(13)-dien-12,6-olide (95782-68-6,125356-46-9,72145-13-2) → tanacetin (1401-54-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 106 mg / oxygen, methylene blue / ethanol / 7 h / Irradiation

2: 40 mg / triphenylphosphine / acetone / 0.5 h

With oxygen; methylene blue; triphenylphosphine; In ethanol; acetone;

upstream raw materials:

costunolide

Downstream raw materials:

1-β-hydroxy-6β,7α,11β-H-eudesm-4-en-6,12-olide

1-keto-6β,7α,11β-H-selin-4(5)-en-6,12-olide

tanacetin

artemin

Refernces