2-Octanone, oxime

Base Information

• Chemical Name: 2-Octanone, oxime
• CAS No.: 7207-49-0
• Molecular Formula: C8H17 N O
• Molecular Weight: 143.229
• Hs Code.: 2928000090
• European Community (EC) Number: 230-586-5
• NSC Number: 145994
• UNII: 58BNE8LC2W
• DSSTox Substance ID: DTXSID5064594
• Mol file: 7207-49-0.mol

Synonyms:2-Octanone, oxime;2-Octanone oxime;Octan-2-one oxime;7207-49-0;AI3-02274;EINECS 230-586-5;NSC 145994;NSC-145994;2-hydroxyiminooctane;58BNE8LC2W;SCHEMBL3960260;DTXSID5064594;MFCD00089167;NSC145994;AKOS008980154

Chemical Property of 2-Octanone, oxime

Chemical Property:

• Vapor Pressure: 0.0279mmHg at 25°C
• Refractive Index: 1.4614 (estimate)
• Boiling Point: 227.5°C at 760 mmHg
• Flash Point: 124.6°C
• PSA: 32.59000
• Density: 0.88g/cm³
• LogP: 2.80690
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 143.131014166
• Heavy Atom Count: 10
• Complexity: 99.4

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCC(=NO)C
• Isomeric SMILES: CCCCCC/C(=N/O)/C

Technology Process of 2-Octanone, oxime

There total 12 articles about 2-Octanone, oxime 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: 90.0%

2-(2-tetrahydropyranyloxy)octane (140387-66-2,140387-67-3,69993-79-9,70702-57-7) → octan-2-one oxime (7207-49-0)

Guidance literature:

With trichloroisocyanuric acid; hydroxylamine hydrochloride; In neat (no solvent); at 110 ℃; for 2h; Green chemistry;

DOI:10.1080/10426507.2014.990015

Reference yield: 87.0%

hexyl-methyl-ketone (111-13-7) → octan-2-one oxime (7207-49-0)

Guidance literature:

With hydroxylamine hydrochloride; In pyridine; at 20 ℃; for 120h;

Reference yield: 86.0%

n-octyne (629-05-0) → octan-2-one oxime (7207-49-0) + octanal oxime (929-55-5)

Guidance literature:

With hydroxylamine; In water; isopropyl alcohol; at 140 ℃; for 10h; microwave irradiation;

DOI:10.1002/anie.200703495

upstream raw materials:

2-nitrooctane

1-methyl-4-nitrosobenzene

(E)-2-nitro-oct-2-ene

2-methylheptanal

Downstream raw materials:

2-octanone 2,4-dinitrophenylhydrazone

(S)-octan-2-amine

(R)-2-octylamine

hexyl-methyl-ketone

Refernces

• 1、 Jefferies, Latisha R.,Weber, Savannah R.,Cook, Silas P.. "Iron-Catalyzed C-N Bond Formation via the Beckmann Rearrangement". supporting information. p. 331 - 334. Retrieved 2015/02/19.
• 2、 Loiseau, Francis,Beauchemin, André M.. "Intermolecular retro-cope type hydroxylamination of alkynes with NH 2OH: (E-1-(1-hydroxycyclohexyl)ethanone oxime)". . p. 87 - 95. Retrieved 2014/04/03.