1-DECALONE

Base Information

• Chemical Name: 1-DECALONE
• CAS No.: 1579-21-1
• Molecular Formula: C10H16O
• Molecular Weight: 152.236
• Hs Code.: 2914299000
• DSSTox Substance ID: DTXSID70883701
• Nikkaji Number: J176.767D
• Mol file: 1579-21-1.mol

Synonyms:2(1H)-Naphthalenone,octahydro-, cis- (8CI);3-cis-Bicyclo[4.4.0]decanone;NSC 59022;cis-2-Decalone;cis-Octahydro-2(1H)-naphthalenone;cis-beta-Decalone;

Chemical Property of 1-DECALONE

Chemical Property:

• Vapor Pressure: 0.0167mmHg at 25°C
• Melting Point: -14 °C
• Refractive Index: n20/D 1.492(lit.)
• Boiling Point: 255 °C at 760 mmHg
• Flash Point: 101.7 °C
• PSA: 17.07000
• Density: 0.982 g/cm³
• LogP: 2.54580
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 152.120115130
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2CC(=O)CCC2C1
• Isomeric SMILES: C1CC[C@H]2CC(=O)CC[C@H]2C1

Technology Process of 1-DECALONE

There total 96 articles about 1-DECALONE 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%

cis-2-decalone (1579-21-1) → trans-decalin-2-one (4832-17-1,5779-29-3,5779-30-6,16021-08-2,52079-67-1,91684-29-6,91684-30-9,1579-21-1,143392-76-1)

Guidance literature:

((C₄H₉)4)4W₁₀O₃₂; In acetonitrile; at 25 ℃; Irradiation;

DOI:10.1016/S0040-4020(01)86244-X

Reference yield: 95.0%

(2R*,4aRS*,8aRS)-decahydro-2-naphthol (825-51-4,1424-36-8,1424-37-9,2529-06-8,5746-67-8,5746-69-0,5779-35-1,36667-73-9,52079-66-0,54324-61-7,84276-31-3,84276-32-4,88644-15-9,91684-34-3,91684-35-4,91684-37-6) → trans-decalin-2-one (4832-17-1,5779-29-3,5779-30-6,16021-08-2,52079-67-1,91684-29-6,91684-30-9,1579-21-1,143392-76-1)

Guidance literature:

With potassium dichromate; sulfuric acid; In diethyl ether; for 6h;

Reference yield: 66.0%

4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one (1196-55-0) → trans-decalin-2-one (4832-17-1,5779-29-3,5779-30-6,16021-08-2,52079-67-1,91684-29-6,91684-30-9,1579-21-1,143392-76-1)

Guidance literature:

4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one; With ammonia; lithium; tert-butyl alcohol; In tetrahydrofuran; at -70 ℃; for 0.25h;

With Jones reagent; In acetone; at 0 ℃; for 0.25h;

DOI:10.1039/c0cc00653j

upstream raw materials:

5,6,7,8-Tetrahydro-2-naphthol

tetralin

(4ar,8ac)-decahydro-naphthalen-2ξ-ol

(+/-)-trans,trans-decahydro-2-naphthol

Downstream raw materials:

(+/-)-6-phenyl-(4ar,8at)-1,2,3,4,4a,5,8,8a-octahydro-naphthalene

dinaphtho[1,2-b:2',1'-d]selenophene

β-naphthol

trans-Decalin

Refernces

• 1、 Bykov, Gennadii L.,Ershov, Boris G.,Krasovskiy, Vladimir G.,Kustov, Alexander L.,Kustov, Leonid M.,Panich, Nadezhda M.. "Ozonation of decalin as a model saturated cyclic molecule: A spectroscopic study". . . Retrieved 2021/09/20.
• 2、 Das, Abhishek,Jana, Rahul Dev,Paine, Tapan Kanti. "Enhancing Chemo- And Stereoselectivity in C-H Bond Oxygenation with H2O2by Nonheme High-Spin Iron Catalysts- And Role of Lewis Acid and Multimetal Centers". . p. 5969 - 5979. Retrieved 2021/05/04.