2(1H)-Naphthalenone, octahydro-

Base Information

• Chemical Name: 2(1H)-Naphthalenone, octahydro-
• CAS No.: 4832-17-1
• Molecular Formula: C₁₀H₁₆O
• Molecular Weight: 152.236
• Hs Code.: 2914390090
• European Community (EC) Number: 225-411-4
• NSC Number: 289484
• DSSTox Substance ID: DTXSID00862701
• Nikkaji Number: J8.780G
• Mol file: 4832-17-1.mol

Synonyms:4832-17-1;2-DECALONE;2(1H)-Naphthalenone, octahydro-;3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one;octahydronaphthalen-2-one;Bicyclo(4.4.0)decan-2-one;EINECS 225-411-4;2-Decalone (cis-trans);bicyclo[4.4.0]decan-2-one;2-Decalone,c&t;perhydronaphthalen-2-one;Decahydro-2-naphthalenone;Octahydro-naphthalen-2-one;decalin-2-one;2(1H)-Naphthalenone, octahydro-, trans-;cis - octahydronaphthalene - 2(1H) - one;Perhydro-2-naphthalenone;decahydronaphthalen-2-one;2(1H)-Naphthalenone, octahydro-, (4aR,8aS)-rel-;UNII-157GES295F;bicyclo[4.4.0]decan-3-one;SCHEMBL1865812;DTXSID00862701;157GES295F;MFCD00001731;NSC289484;2-Decalone, mixture of cis and trans;AKOS005203444;NSC 289484;NSC-289484;AS-81334

Chemical Property of 2(1H)-Naphthalenone, octahydro-

Chemical Property:

• Vapor Pressure: 0.0167mmHg at 25°C
• Melting Point: 130-131 °C (decomp)
• Refractive Index: n20/D 1.491(lit.)
• Boiling Point: 96 °C2.5 mm Hg(lit.)
• Flash Point: 215 °F
• PSA: 17.07000
• Density: 0.979 g/mL at 25 °C(lit.)
• 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%,99%, ^*data from raw suppliers

Perhydronaphthalen-2-one ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2CC(=O)CCC2C1

Technology Process of 2(1H)-Naphthalenone, octahydro-

There total 67 articles about 2(1H)-Naphthalenone, octahydro- 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:

(decahydronaphthalen-2-yl)-(3-trifluoromethylbenzyl)-amine hydrochloride

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

cis-2-decalone

trans-decalin-2-one