4500-17-8

Basic information

• Product Name: (1E)-N-hydroxy-2,2-dimethylcyclohexanimine
• CAS NO: 4500-17-8
• Molecular Formula: C₈H₁₅NO
• Molecular Weight: 141.2108
• Mol File: 4500-17-8.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 220.71°C at 760 mmHg
• Flash Point: 119.457°C
• Density: 1.021g/cm³
• Vapor Pressure: 0.042mmHg at 25°C
• Refractive Index: 1.504
• CAS DataBase Reference: (1E)-N-hydroxy-2,2-dimethylcyclohexanimine(CAS DataBase Reference)
• NIST Chemistry Reference: (1E)-N-hydroxy-2,2-dimethylcyclohexanimine(4500-17-8)
• EPA Substance Registry System: (1E)-N-hydroxy-2,2-dimethylcyclohexanimine(4500-17-8)

Safety Data

• Hazardous Substances Data: 4500-17-8(Hazardous Substances Data)

Usage

General Description

(1E)-N-hydroxy-2,2-dimethylcyclohexanimine is a chemical compound with the empirical formula C8H15NO, and a molecular weight of 141.21 g/mol. It is an organic compound that is commonly used in the synthesis of pharmaceuticals and agrochemicals. The compound has a cyclohexane ring with a hydroxyl group and a secondary amine group attached to it, making it a versatile building block for various chemical reactions. Its specific properties and applications can vary depending on the exact synthesis and formulation, but it is generally known for its potential as a valuable intermediate in organic synthesis. Additionally, it has potential applications in the field of medicinal chemistry and in the production of fine chemicals. Overall, (1E)-N-hydroxy-2,2-dimethylcyclohexanimine is a key compound in the development of various important chemical products.

Upstream product

• 854435-09-9 (+/-)-1.1-dimethyl-3-benzoyl-cyclohexanone-⁽²⁾ 
• 1193-47-1 2,2-dimethyl-cyclohexanone 

Downstream Products

• 24247-77-6 2,2-dimethylcyclohexan-1-amine 
• 20108-84-3 7,7-Dimethyl-4,5,6,7-tetrahydro-benzisoxazol 
• 96695-30-6 E-2-acetoxymethyl-2-methylcyclohexanone oxime 
• 69619-00-7 3-(1,1-dimethyl-cyclohexyl)-sydnone 
• 69618-99-1 N-(2,2-dimethyl-cyclohexyl)-N-nitroso-glycine 
• 69618-97-9 (2,2-Dimethylcyclohexyl)hydrazin 
• 56909-82-1 2-Acetylamino-3,3-dimethylcyclohexen 
• 1394064-48-2 (E)-2,2-dimethylcyclohexanone O-3,5-dinitrobenzoyl oxime 
• 1394064-50-6 (E)-2,2-dimethylcyclohexanone O-2-nitrobenzoyl oxime 
• 1394064-46-0 (E)-2,2-dimethylcyclohexanone O-3-nitrobenzoyl oxime 
• 1394064-45-9 (E)-2,2-dimethylcyclohexanone O-4-nitrophenyl oxime 
• 1394064-49-3 (E)-2,2-dimethylcyclohexanone O-3,4-dinitrobenzoyl oxime 
• 1394064-51-7 (E)-2,2-dimethylcyclohexanone O-2,4-dinitrobenzoyl oxime 
• 5682-66-6 1-Isopropyl-cyclopenten(1)-on-(5) 

Relevant articles and documents

Palladium-Catalyzed C(sp3)-H Oxygenation via Electrochemical Oxidation

Palladium-catalyzed C-H activation/C-O bond-forming reactions have emerged as attractive tools for organic synthesis. Typically, these reactions require strong chemical oxidants, which convert organopalladium(II) intermediates into the PdIII or PdIV oxidation state to promote otherwise challenging C-O reductive elimination. However, previously reported oxidants possess significant disadvantages, including poor atom economy, high cost, and the formation of undesired byproducts. To overcome these issues, we report an electrochemical strategy that takes advantage of anodic oxidation of PdII to induce selective C-O reductive elimination with a variety of oxyanion coupling partners.

PYRROLOPYRAZINE DERIVATIVES AS SYK AND JAK INHIBITORS

The present invention relates to the use of novel pyrrolopyrazine derivatives of Formula (I), wherein the variables Q and R1 and R2 are defined as described herein, which inhibit JAK and SYK and are useful for the treatment of auto-immune and inflammatory diseases.

Infinite, undulating chains of intermolecularly hydrogen bonded (E,E)-2,2-dimethylcyclohexane-1,3-dione dioximes in the solid state. A single crystal X-ray, charge density distribution and spectroscopic study

In the solid state (E,E)-2,2-dimethylcyclohexane-1,3-dione dioxime (1) and (E,E)-2,2,5,5-tetramethylcyclohexane-1,3-dione dioxime (2) give infinite, undulating polymer-like chains due to intermolecular dimeric oxime hydrogen bonding [R22(6) motif with Ci-symmetry; single crystal X-ray analyses]. Configurational stereoisomerism of the oxime groups is prevented by the two methyl groups at the 2-positions. Consequently, the oxime groups of both 1 and 2 are unequivocally defined and show no disorder. Whereas 1 has molecular Cs-symmetry, compound 2 lacks symmetry and two distinct intermolecular dimeric oxime hydrogen bonds are found. In the case of 2, its charge density distribution was determined from high resolution X-ray data and subjected to a Bader type topological analysis giving for the first time insight into the chemical bonding of this dimeric intermolecular oxime hydrogen-bonding motif. The multipole populations and the properties of the (3, -1) bond critical points confirm the lack of symmetry for 2. All located (3, -1) bond critical points except those of the hydrogen bonds have negative values for the Laplacians ?2ρ(rp) in line with covalent bonding. Notwithstanding, the description of the two distinct O-N bonds of 2 is not fully adequate; to obtain negative Laplacian values at their bond critical points, hexadecapole parameters (l=4) for C, N and O had to be used in the refinement. By comparison with B3LYP/6-311++G** results on acetone oxime it is shown that this anomaly can be attributed to deviations in the experimentally determined charge density distribution of the two distinct O-N bonds of 2. The positive Laplacians for the hydrogen bonds agree with closed shell interactions. In addition, the spectroscopic properties of the intermolecular oxime hydrogen bonding R22(6) motifs of 1 and 2 were studied using 13C CP/MAS NMR and IR and Raman spectroscopy. 13C CP/MAS NMR showed that for 1 and 2 one and two distinct oxime hydrogen bonding motifs, respectively, are discernible. From their IR and Raman spectra unequivocal proof was obtained that the R22(6) motifs possess local Ci-symmetry.