3-Benzoylbicyclo[2.2.1]heptane-2-carboxylatato

Base Information

• Chemical Name: 3-Benzoylbicyclo[2.2.1]heptane-2-carboxylatato
• CAS No.: 212757-12-5
• Molecular Formula: C15H15O3-
• Molecular Weight: 243.2783
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID30943779
• Wikidata: Q82920939
• Mol file: 212757-12-5.mol

Synonyms:DTXSID30943779;3-Benzoylbicyclo[2.2.1]heptane-2-carboxylatato

Chemical Property of 3-Benzoylbicyclo[2.2.1]heptane-2-carboxylatato

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 180-183°C
• Refractive Index: 1.5570 (estimate)
• Boiling Point: 424.8°Cat760mmHg
• Flash Point: 224.9°C
• PSA: 54.37000
• Density: g/cm³
• LogP: 2.61620
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 243.102119336
• Heavy Atom Count: 18
• Complexity: 351

Purity/Quality:

98%min ^*data from raw suppliers

diendo-3-Benzoylbicyclo[2.2.1]heptane-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2CC1C(C2C(=O)[O-])C(=O)C3=CC=CC=C3
• Isomeric SMILES: C1C[C@H]2C[C@@H]1[C@@H]([C@H]2C(=O)[O-])C(=O)C3=CC=CC=C3

Technology Process of 3-Benzoylbicyclo[2.2.1]heptane-2-carboxylatato

There total 7 articles about 3-Benzoylbicyclo[2.2.1]heptane-2-carboxylatato 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:

cis-5-norbornene-endo-2,3-dicarboxylic anhydride (17812-27-0,853658-14-7) → 3-benzoyl-norbornane-2-carboxylic acid (212757-12-5)

Guidance literature:

With aluminium trichloride; benzene; Behandeln des Reaktionsgemisches mit wss. Salzsaeure;

DOI:10.1007/BF03263140

Reference yield:

3-endo-benzoylbicyclo[2.2.1]hept-5-ene-2-exo-carboxylic acid (92549-26-3,118577-45-0) → (+/-)-3endo-benzoyl-norbornane-2exo-carboxylic acid (212757-12-5)

Guidance literature:

With ethanol; palladium; Hydrogenation;

Reference yield:

3-exo-benzoylbicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid (92549-26-3,118577-45-0) → (+/-)-3exo-benzoyl-norbornane-2endo-carboxylic acid (212757-12-5)

Guidance literature:

With ethanol; palladium; Hydrogenation;

upstream raw materials:

3-endo-benzoylbicyclo[2.2.1]hept-5-ene-2-exo-carboxylic acid

3-exo-benzoylbicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid

cis-5-norbornene-endo-2,3-dicarboxylic anhydride

Benzoylacrylic acid