4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate

Base Information

• Chemical Name: 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate
• CAS No.: 51174-53-9
• Molecular Formula: C₁₃H₂₀O₂
• Molecular Weight: 208.301
• NSC Number: 179308
• DSSTox Substance ID: DTXSID80306678
• Mol file: 51174-53-9.mol

Synonyms:51174-53-9;NSC179308;DTXSID80306678;BICPHIIHGNNJJR-UHFFFAOYSA-N;NSC-179308;4a-methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate;4a-Methyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenyl acetate #;Acetic acid, 4a-methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl ester

Chemical Property of 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate

Chemical Property:

• Vapor Pressure: 0.00443mmHg at 25°C
• Boiling Point: 277.8°C at 760 mmHg
• Flash Point: 113.9°C
• Density: 1.02g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 208.146329876
• Heavy Atom Count: 15
• Complexity: 293

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCC2(CCCCC2=C1)C

Technology Process of 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate

There total 2 articles about 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl 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:

(S)-(+)-4,4a,5,6,7,8-hexahydro-4a-methyl-2(3H)-naphthalenone (4087-39-2) + acetic anhydride (108-24-7) → 2-acetoxy-10β-methyl-Δ1,9-octalin (51174-53-9,790234-26-3)

Guidance literature:

Multistep reaction; (i) LiAlH₄, Et₂O, (ii) /BRN= 385737/, Py;

DOI:10.1021/jo00862a017

Reference yield:

→ 10β-Methyl-Δ1(9)-2α-octalol-acetat (5173-71-7,51174-53-9,54910-87-1,55029-01-1,790234-26-3)

Guidance literature:

10β-Methyl-Δ¹⁽⁹⁾-2β-octalol/10β-Methyl-Δ¹⁽⁹⁾-2α-octalol (Isomerengemisch), Py., Acetanhydrid (20grad) ;

upstream raw materials:

(S)-(+)-4,4a,5,6,7,8-hexahydro-4a-methyl-2(3H)-naphthalenone

acetic anhydride

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