Phenyl(tricyclo[2.2.1.02,6]hept-1-yl)methanone

Base Information

• Chemical Name: Phenyl(tricyclo[2.2.1.02,6]hept-1-yl)methanone
• CAS No.: 80325-62-8
• Molecular Formula: C₁₄H₁₄O
• Molecular Weight: 198.265
• NSC Number: 139867
• DSSTox Substance ID: DTXSID60300896

Synonyms:80325-62-8;phenyl(tricyclo[2.2.1.02,6]hept-1-yl)methanone;NSC139867;DTXSID60300896;NSC-139867

Chemical Property of Phenyl(tricyclo[2.2.1.02,6]hept-1-yl)methanone

Chemical Property:

• Vapor Pressure: 0.000873mmHg at 25°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 198.104465066
• Heavy Atom Count: 15
• Complexity: 301

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2CC3C1C3(C2)C(=O)C4=CC=CC=C4

Technology Process of Phenyl(tricyclo[2.2.1.02,6]hept-1-yl)methanone

There total 15 articles about Phenyl(tricyclo[2.2.1.02,6]hept-1-yl)methanone 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: 16.0%

Norbornan-2-on (497-38-1) + Benzotrichlorid (98-07-7) → 1-benzoyltricyclo<2.2.1>heptane (80325-62-8) + 2-benzoyl-2-chloro-bicyclo<2.2.1>heptane + 2-benzoyl-6-chlorobicyclo<2.2.1>heptane + 1-benzoyl-2-chlorobicyclo<2.2.1>heptane

Guidance literature:

With lithium perchlorate; sodium hydride; In tetrahydrofuran; at 0 ℃; Further byproducts given; electrolyzed at -0.8V vs. Marple electrode;

DOI:10.1246/bcsj.61.125

Reference yield: 8.0%

Norbornan-2-on (497-38-1) + Benzotrichlorid (98-07-7) → bicyclo<2.2.1>hept-2-en-2-yl phenyl ketone (56180-57-5) + 1-benzoyltricyclo<2.2.1>heptane (80325-62-8) + 2-benzoyl-2-chloro-bicyclo<2.2.1>heptane + 1-benzoyl-2-chlorobicyclo<2.2.1>heptane

Guidance literature:

With lithium perchlorate; sodium hydride; In tetrahydrofuran; at 0 ℃; Further byproducts given; electrolyzed at -0.8V vs. Marple electrode;

DOI:10.1246/bcsj.61.125

Reference yield:

Methanesulfonic acid (1R,2S,4S)-2-benzoyl-bicyclo[2.2.1]hept-2-yl ester (82027-11-0) → Acetic acid (1S,2R,4R,6S)-6-benzoyl-bicyclo[2.2.1]hept-2-yl ester (82027-30-3) + 1-benzoyltricyclo<2.2.1>heptane (80325-62-8) + Acetic acid (1S,2R,4S)-1-benzoyl-bicyclo[2.2.1]hept-2-yl ester (82027-31-4)

Guidance literature:

With sodium acetate; In acetic acid; at 100 ℃; for 10h; Yield given. Yields of byproduct given;

DOI:10.1021/ja00379a018

upstream raw materials:

2,2,2-trifluoroethanol

Methanesulfonic acid (1R,2S,4S)-2-benzoyl-bicyclo[2.2.1]hept-2-yl ester

sodium acetate

sodium 2,2,2-trifluoroacetate

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