(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acetaldehyde

Base Information

• Chemical Name: (3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acetaldehyde
• CAS No.: 39850-66-3
• Molecular Formula: C11H18O
• Molecular Weight: 166.263
• European Community (EC) Number: 254-654-9
• DSSTox Substance ID: DTXSID60960419
• Nikkaji Number: J261.460J
• Mol file: 39850-66-3.mol

Synonyms:39850-66-3;(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acetaldehyde;EINECS 254-654-9;SCHEMBL4623135;DTXSID60960419;NS00057745;3,3-Dimethyl-bicyclo[2.2.1.]hept-2-yLacetaldehyd;(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)acetaldehyde

Chemical Property of (3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acetaldehyde

Chemical Property:

• Vapor Pressure: 0.0759mmHg at 25°C
• Boiling Point: 227.8°C at 760 mmHg
• Flash Point: 88.9°C
• PSA: 17.07000
• Density: 0.931g/cm³
• LogP: 2.64770
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 166.135765193
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C2CCC(C2)C1CC=O)C

Technology Process of (3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acetaldehyde

There total 6 articles about (3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acetaldehyde 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: 100.0%

carbon monoxide (201230-82-2) + camphene (79-92-5) → (3,3-dimethyl-[2]norbornyl)-acetaldehyde (39850-66-3)

Guidance literature:

With hydrogen; In toluene; at 80 ℃; for 24h; under 30402 Torr; Catalytic behavior; Autoclave;

DOI:10.1002/cctc.201600070

Reference yield: 82.9%

exo-3,3-Dimethylbicyclo<2.2.1>heptane-2-acetic acid (131131-59-4) → 3,3-Dimethyl-2-exo-norbornyl-acetaldehyd (39850-66-3,101372-40-1,113104-73-7,130857-68-0,130857-69-1)

Guidance literature:

With lithium aluminium tetrahydride; 1,1'-carbonyldiimidazole; In diethyl ether;

DOI:10.1007/BF00809950

Reference yield:

dl-camphene (565-00-4) → (3,3-dimethyl-[2]norbornyl)-acetaldehyde (39850-66-3)

Guidance literature:

With dicobalt octacarbonyl; hydrogen; at 125 - 150 ℃; under 154457 Torr;

DOI:10.1021/ja01128a073

upstream raw materials:

dl-camphene

carbon monoxide

camphene

exo-3,3-Dimethylbicyclo<2.2.1>heptane-2-acetic acid

Refernces

• 1、 Tijani, Jimoh,El Ali, Bassam. "Rhodium-catalyzed hydroformylation of olefins: Effect of [bis(2,4-di-tert-butyl) pentaerythritol] diphosphite (alkanox P-24) on the regioselectivity of the reaction". . p. 3492 - 3497. Retrieved 2008/02/12.
• 2、 Buchbauer, Gerhard,Puespoek, Gabriele,Angermayer, Adelheid,Silbernagel, Elisabeth,Manz, Marisa. "Synthesis in the Isocamphane Series, XXVII. Analogues of 4δ-Santalol, I". . p. 387 - 398. Retrieved 2007/10/02.