2-Methylcyclohexanone oxime

Base Information

• Chemical Name: 2-Methylcyclohexanone oxime
• CAS No.: 1122-26-5
• Molecular Formula: C7H13 N O
• Molecular Weight: 127.186
• Hs Code.: 2928000090
• Mol file: 1122-26-5.mol

Synonyms:2-Methylcyclohexanone oxime;Cyclohexanone, 2-methyl-, oxime;BRN 1561429;1122-26-5;3-07-00-00053 (Beilstein Handbook Reference);2-Methylcyclohexanonoxim;SCHEMBL6922111;MDIFHVYPHRHKLB-BQYQJAHWSA-N;(1E)-2-Methylcyclohexanone oxime;(1E)-2-Methylcyclohexanone oxime #;NSC 139569;LS-57338;D86326;A894628

Chemical Property of 2-Methylcyclohexanone oxime

Chemical Property:

• Vapor Pressure: 0.0486mmHg at 25°C
• Boiling Point: 218.1°Cat760mmHg
• Flash Point: 117.5°C
• PSA: 32.59000
• Density: 1.08g/cm³
• LogP: 2.02670
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 127.099714038
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

98%,99%, ^*data from raw suppliers

(1Z)-2-Methylcyclohexanone oxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCC1=NO
• Isomeric SMILES: CC\1CCCC/C1=N\O

Technology Process of 2-Methylcyclohexanone oxime

There total 10 articles about 2-Methylcyclohexanone 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: 100.0%

→ 2-methylcyclohexanone oxime (1122-26-5)

Guidance literature:

Reference yield: 93.0%

2-Methylcyclohexanone (583-60-8) → 2-methylcyclohexanone oxime (1122-26-5)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; water; 1.) steam bath, 1-5 h, 2.) room temp.;

DOI:10.1021/jo00168a009

Reference yield: 69.0%

2-Methyl-1-nitrocyclohexane (74221-86-6) → 2-methylcyclohexanone oxime (1122-26-5)

Guidance literature:

With n-butyllithium; 1,1,1,2,2,2-hexamethyldisilane; In tetrahydrofuran; hexane; for 24h; Ambient temperature;

DOI:10.1021/jo981054i

upstream raw materials:

3-methyl-2-oxo-cyclohexanecarbaldehyde

2-Methylcyclohexanone

2-Chlor-2-methyl-cyclohexanon-oxim

2-METHYLCYCLOHEXYLAMINE

Downstream raw materials:

C₁₄H₁₉NO₃S

2,3-diphenyl-5,6,7,8-tetrahydroquinoline

cis-N-(Diphenylphosphinyl)-2-methylcyclohexylamine

trans-N-(Diphenylphosphinyl)-2-methylcyclohexylamine

Refernces

• 1、 Hwu, Jih Ru,Tseng, Wen Nan,Patel, Himatkumar V.,Wong, Fong Fuh,Horng, Den-Nan,Liaw, Ben Ruey,Lung Ching, Lin. "Mono-deoxygenation of nitroalkanes, nitrones, and heterocyclic N-oxides by hexamethyldisilane through 1,2-elimination: Concept of 'counterattack reagent'". . p. 2211 - 2218. Retrieved 2007/10/03.
• 2、 Hyun, Myung Ho,Park, Young -Whan,Baik, In-Kyu. "LIQUID CHROMATOGRAPHIC RESOLUTION OF RACEMIC KETONES AS THEIR OXIME 3,5-DINITROPHENYL CARBAMATES ON A CHIRAL STATIONARY PHASE". . p. 4735 - 4738. Retrieved 2007/10/02.