(E)-2,2-Dimethylcyclohexanone oxime

Base Information

• Chemical Name: (E)-2,2-Dimethylcyclohexanone oxime
• CAS No.: 4500-17-8
• Molecular Formula: C8H15NO
• Molecular Weight: 141.213
• NSC Number: 120492
• Mol file: 4500-17-8.mol

Synonyms:(E)-2,2-Dimethylcyclohexanone oxime;4500-17-8;NSC120492;e-2,2-dimethylcyclohexanone oxime;SJMQCPHPTFSSRN-VQHVLOKHSA-N;141 cyclohexanone oxime 2,2-dimethyl;NSC-120492

Chemical Property of (E)-2,2-Dimethylcyclohexanone oxime

Chemical Property:

• Vapor Pressure: 0.042mmHg at 25°C
• Boiling Point: 220.71°C at 760 mmHg
• Flash Point: 119.457°C
• Density: 1.021g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 141.115364102
• Heavy Atom Count: 10
• Complexity: 149

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCCC1=NO)C
• Isomeric SMILES: CC\1(CCCC/C1=N\O)C

Technology Process of (E)-2,2-Dimethylcyclohexanone oxime

There total 4 articles about (E)-2,2-Dimethylcyclohexanone 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: 85.0%

2,2-dimethyl-cyclohexanone (1193-47-1) → (E)-2,2-dimethylcyclohexanone oxime (4500-17-8,66417-98-9)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; In ethanol;

DOI:10.1016/S0040-4039(96)02109-0

Reference yield: 42.0%

2,2-dimethyl-cyclohexanone (1193-47-1) → 2,2-dimethylcyclohexanone oxime (4500-17-8)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In ethanol; water; for 48h; Reflux;

Reference yield:

(+/-)-1.1-dimethyl-3-benzoyl-cyclohexanone-(2) (854435-09-9) → 2,2-dimethylcyclohexanone oxime (4500-17-8)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH solution

With sodium hydroxide;

DOI:10.1021/ja01247a018

upstream raw materials:

2,2-dimethyl-cyclohexanone

(+/-)-1.1-dimethyl-3-benzoyl-cyclohexanone-⁽²⁾

Downstream raw materials:

(E)-2,2-dimethylcyclohexanone O-3,5-dinitrobenzoyl oxime

(E)-2,2-dimethylcyclohexanone O-2-nitrobenzoyl oxime

(E)-2,2-dimethylcyclohexanone O-3-nitrobenzoyl oxime

(E)-2,2-dimethylcyclohexanone O-4-nitrophenyl oxime

Refernces

• 1、 Yeoh, Shin Dee,Harris, Benjamin L.,Simons, Tristan J.,White, Jonathan M.. "Structure correlation study of the beckmann rearrangement: X-ray structural analysis and 13C-13C 1-bond coupling constant study of a range of cyclohexanone oxime derivatives". experimental part. p. 905 - 917. Retrieved 2012/09/22.
• 2、 -. "HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE". Page 73. . Retrieved 2010/02/07.