5-Methylbicyclo[3.3.1]non-1-yl acetate

Base Information

• Chemical Name: 5-Methylbicyclo[3.3.1]non-1-yl acetate
• CAS No.: 87362-54-7
• Molecular Formula: C₁₂H₂₀O₂
• Molecular Weight: 196.29
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID00888683
• Nikkaji Number: J453.571E
• Mol file: 87362-54-7.mol

Synonyms:5-methylbicyclo[3.3.1]non-1-yl acetate;DTXSID00888683;(5-methyl-1-bicyclo[3.3.1]nonanyl) acetate

Chemical Property of 5-Methylbicyclo[3.3.1]non-1-yl acetate

Chemical Property:

• Vapor Pressure: 0.0265mmHg at 25°C
• Boiling Point: 246.9°C at 760 mmHg
• Flash Point: 101.5°C
• PSA: 26.30000
• Density: 1g/cm³
• LogP: 2.76430
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 196.146329876
• Heavy Atom Count: 14
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC12CCCC(C1)(CCC2)C

Technology Process of 5-Methylbicyclo[3.3.1]non-1-yl acetate

There total 5 articles about 5-Methylbicyclo[3.3.1]non-1-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:

1,5-Dimethylencyclooctan (18216-01-8) → 1-Chloro-5-methyl-bicyclo[3.3.1]nonane (55834-17-8) + (1S,6R)-1,6-Dichloro-bicyclo[4.3.1]decane (87362-55-8) + Acetic acid 5-methyl-bicyclo[3.3.1]non-1-yl ester (87362-54-7) + Acetic acid (1S,6R)-6-chloro-bicyclo[4.3.1]dec-1-yl ester (87362-56-9)

Guidance literature:

With oxygen; sodium acetate; acetic acid; copper dichloride; palladium dichloride; at 25 ℃; for 24h; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4039(00)81819-5

Reference yield:

1,5-Dimethylencyclooctan (18216-01-8) + acetic acid (64-19-7,77671-22-8) → 1-Chloro-5-methyl-bicyclo[3.3.1]nonane (55834-17-8) + Acetic acid 5-methyl-bicyclo[3.3.1]non-1-yl ester (87362-54-7)

Guidance literature:

With sodium acetate; copper dichloride; at 70 ℃; for 15h; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4039(00)81819-5

Reference yield:

1,5-Dimethylencyclooctan (18216-01-8) + acetic acid (64-19-7,77671-22-8) → (1S,6R)-1,6-Dichloro-bicyclo[4.3.1]decane (87362-55-8) + Acetic acid 5-methyl-bicyclo[3.3.1]non-1-yl ester (87362-54-7) + Acetic acid (1S,6R)-6-chloro-bicyclo[4.3.1]dec-1-yl ester (87362-56-9)

Guidance literature:

With oxygen; acetic anhydride; palladium diacetate; copper diacetate; at 25 ℃; for 20h; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4039(00)81819-5

upstream raw materials:

1,5-Dimethylencyclooctan

acetic acid

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