alpha-Amyrin acetate

Base Information

• Chemical Name: alpha-Amyrin acetate
• CAS No.: 863-76-3
• Molecular Formula: C₃₂H₅₂O₂
• Molecular Weight: 468.764
• NSC Number: 160881
• DSSTox Substance ID: DTXSID401006702
• Mol file: 863-76-3.mol

Synonyms:alpha-amyrin acetate;amyrin acetate

Chemical Property of alpha-Amyrin acetate

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 1.93E-10mmHg at 25°C
• Melting Point: 241 C
• Boiling Point: 508°C at 760 mmHg
• Flash Point: 258°C
• PSA: 26.30000
• Density: 1.02g/cm³
• LogP: 8.59560
• XLogP3: 9.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 468.396730897
• Heavy Atom Count: 34
• Complexity: 885

Purity/Quality:

99%, ^*data from raw suppliers

α-Amyrinacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): UN NO.
• Hazard Codes: UN NO.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C

Technology Process of alpha-Amyrin acetate

There total 2 articles about alpha-Amyrin 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:

(3β)-urs-12-en-3-yl palmitate (22255-10-3,290299-11-5) → urs-12-en-3β-yl acetate (863-76-3,101915-52-0,22395-84-2)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄

2: pyridine

With pyridine; lithium aluminium tetrahydride;

DOI:10.1016/0031-9422(80)83096-2

Reference yield:

acetic anhydride (108-24-7) + 22,23-dihydro-22-methylenesqualene-2,3-epoxide (74994-90-4) → urs-12-en-3β-yl acetate (863-76-3,101915-52-0,22395-84-2) + β-amyrin acetate (1616-93-9,33055-28-6,64200-19-7) + 30-nor-29,29-dimethyl-18β-olean-12-en-3β-yl acetate

Guidance literature:

With pyridine; Tween 80; Mechanism; Product distribution; multistep reaction; enzymic cyclization in vitro by microsomes from Pisum sativum; labeling studies;

Reference yield: 99.0%

urs-12-en-3β-yl acetate (863-76-3,101915-52-0,22395-84-2) → α-amyrin (638-95-9)

Guidance literature:

With potassium hydroxide; In methanol; Reflux;

DOI:10.1002/ardp.201700178

upstream raw materials:

acetic anhydride

22,23-dihydro-22-methylenesqualene-2,3-epoxide

(3β)-urs-12-en-3-yl palmitate

Downstream raw materials:

α-amyrin

Marsformosanone

Refernces

• 1、 Shankaranarayana, K. H.,Ayyar, K. S.,Rao, G. S. Krishna. "INSECT GROWTH INHIBITOR FROM THE BARK OF SANTALUM ALBUM". . p. 1239 - 1240. Retrieved 2007/10/02.