2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-

Base Information

• Chemical Name: 2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-
• CAS No.: 68991-96-8
• Molecular Formula: C13H20 O
• Molecular Weight: 192.301
• European Community (EC) Number: 273-660-2
• DSSTox Substance ID: DTXSID80867794
• Nikkaji Number: J332.606C
• Mol file: 68991-96-8.mol

Synonyms:68991-96-8;2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-;EINECS 273-660-2;5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-2-carbaldehyde;1,2,3,4,5,6,7,8-Octahydro-5,5-dimethylnaphthalene-2-carbaldehyde;5,5-Dimethyl-1,2,3,4,5,6,7,8-octahydro-2-naphthalenecarboxaldehyde;SCHEMBL15199501;DTXSID80867794;1,2,3,4,5,6,7,8-Octahydro-5,5-dimethyl-2-naphthalenecarbaldehyde;1,2,3,4,5,6,7,8 - octahydro - 5,5 - dimethylnaphthalene - 2 - carbaldehyde

Chemical Property of 2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-

Chemical Property:

• Vapor Pressure: 0.00436mmHg at 25°C
• Boiling Point: 278.1°C at 760 mmHg
• Flash Point: 97.8°C
• PSA: 17.07000
• Density: 0.97g/cm³
• LogP: 3.49210
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCC2=C1CCC(C2)C=O)C

Technology Process of 2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-

There total 2 articles about 2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl- 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: 99.0%

3-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde (52475-89-5) → 5,5-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbaldehyde (68991-96-8)

Guidance literature:

With 1-methyl-3-butylimidazolium zinc chloride; at 150 ℃; for 2h; under 750.075 Torr; Sealed tube; Inert atmosphere;

Reference yield:

1,1-dimethyl-2,3-bis(methylene)cyclohexane (60714-17-2) + acrolein (107-02-8,25068-14-8) → 5,5-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbaldehyde (68991-96-8)

Guidance literature:

With N-Phenyl-2-naphthylamine; at 140 ℃;

upstream raw materials:

1,1-dimethyl-2,3-bis(methylene)cyclohexane

acrolein

3-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde