(Bicyclo[2.2.1]hept-2-yl)methyl acetate

Base Information

• Chemical Name: (Bicyclo[2.2.1]hept-2-yl)methyl acetate
• CAS No.: 53075-46-0
• Molecular Formula: C10H16 O2
• Molecular Weight: 168.236
• Hs Code.: 2915390090
• European Community (EC) Number: 258-344-4
• DSSTox Substance ID: DTXSID30886031
• Nikkaji Number: J295.878C
• Mol file: 53075-46-0.mol

Synonyms:53075-46-0;(bicyclo[2.2.1]hept-2-yl)methyl acetate;bicyclo[2.2.1]heptan-2-ylmethyl acetate;EINECS 258-344-4;2-bicyclo[2.2.1]heptanylmethyl acetate;(Bicyclo(2.2.1)hept-2-yl)methyl acetate;AI3-28487;Bicyclo(2.2.1)heptane-2-methanol, acetate;Bicyclo[2.2.1]heptane-2-methanol, acetate;{bicyclo[2.2.1]heptan-2-yl}methyl acetate;Bicyclo(2.2.1)heptane-2-methanol, 2-acetate;bicyclo[2.2.1]hept-2-ylmethyl acetate;Bicyclo[2.2.1]heptane-2-methanol, 2-acetate;SCHEMBL9517788;DTXSID30886031;BBL031347;STL372700;AKOS006242794;VS-10434;Bicyclo[2.2.1]heptane-2-methanol acetate;CS-0361218

Chemical Property of (Bicyclo[2.2.1]hept-2-yl)methyl acetate

Chemical Property:

• Vapor Pressure: 0.129mmHg at 25°C
• Boiling Point: 218°Cat760mmHg
• Flash Point: 78°C
• PSA: 26.30000
• Density: 1.033g/cm³
• LogP: 1.98570
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1CC2CCC1C2

Technology Process of (Bicyclo[2.2.1]hept-2-yl)methyl acetate

There total 16 articles about (Bicyclo[2.2.1]hept-2-yl)methyl 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: 80.0%

N,N-dimethyl acetamide (127-19-5,116057-81-9) + Norborneol (497-36-9,497-37-0) → 2-Bicyclo<2.2.1>heptylmethyl acetate (53075-46-0)

Guidance literature:

With cerium(IV) oxide; at 155 ℃; for 36h; Inert atmosphere; Sealed tube;

DOI:10.1002/cctc.201801098

Reference yield:

5-norbornene-2-methanol (15507-06-9) → 2-Bicyclo<2.2.1>heptylmethyl acetate (53075-46-0)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Raney nickel / methanol

With hydrogen; nickel; In methanol;

Reference yield:

cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) → 2-Bicyclo<2.2.1>heptylmethyl acetate (53075-46-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 33 percent / hydroquinone / 10 h / 200 °C

2: H₂ / Raney nickel / methanol

With hydrogen; hydroquinone; nickel; In methanol;

upstream raw materials:

acetic acid-[2]norbornylidenemethyl ester

exo-norbornyl aldehyde

acetic anhydride

exo-hydroxymethylnorbornane

Downstream raw materials:

exo-hydroxymethylnorbornane

2-iodomethyl-norbornane

Refernces

• 1、 Mamedov. "Synthesis of New Perfumes, the Esters of 2-Bicyclo[2.2.1]heptylmethanol". . p. 178 - 182. Retrieved 2007/10/03.
• 2、 Flury, Peter,Grob, Cyril A.. "The Hydrolysis of 7-anti-Substituted 2-endo- and 2-exo-Norbornyl p-Toluenesulfonates". . p. 1981 - 1990. Retrieved 2007/10/02.