54621-18-0

Basic information

• Product Name: 1-AMINO-4-OXOCYCLOHEXANECARBOXYLIC ACID ETHYLENE KETAL
• Synonyms: 8-AMINO-1,4-DIOXA-SPIRO[4.5]DECANE-8-CARBOXYLIC ACID;1-AMINO-4-OXOCYCLOHEXANECARBOXYLIC ACID ETHYLENE KETAL;4-Amino-4-carboxycyclohexanone ethylene ketal~8-Amino-1,3-dioxaspiro[4.5]decane-8-carboxylic acid;4-Amino-4-carboxycyclohexanoneethyleneketal;8-Amino-1,3-dioxaspiro[4.5]decane-8-carboxylicacid;8-Amino-8-carboxy-1,4-dioxaspiro[4.5]decane, 8-Amino-8-carboxycyclohexanone ethylene ketal
• CAS NO: 54621-18-0
• Molecular Formula: C₉H₁₅NO₄
• Molecular Weight: 201.22
• Mol File: 54621-18-0.mol

Chemical Properties

• Melting Point: 301-304°C
• Boiling Point: 372.1°C at 760 mmHg
• Flash Point: 178.8°C
• Appearance: /
• Density: 1.32g/cm³
• Vapor Pressure: 1.47E-06mmHg at 25°C
• Refractive Index: 1.55
• Storage Temp.: 2-8°C
• PKA: 2.36±0.20(Predicted)
• Water Solubility: Insoluble in water.
• BRN: 1373325
• CAS DataBase Reference: 1-AMINO-4-OXOCYCLOHEXANECARBOXYLIC ACID ETHYLENE KETAL(CAS DataBase Reference)
• NIST Chemistry Reference: 1-AMINO-4-OXOCYCLOHEXANECARBOXYLIC ACID ETHYLENE KETAL(54621-18-0)
• EPA Substance Registry System: 1-AMINO-4-OXOCYCLOHEXANECARBOXYLIC ACID ETHYLENE KETAL(54621-18-0)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22-41
• Safety Statements: 22-24/25-39-26
• WGK Germany: 1
• HazardClass: IRRITANT
• Hazardous Substances Data: 54621-18-0(Hazardous Substances Data)

Usage

Uses

Used in Polymer Modification:
1-Amino-4-oxocyclohexanecarboxylic acid ethylene ketal is used as a modifying agent for polymer properties. Its incorporation into polymers can enhance their characteristics, such as improving mechanical strength, thermal stability, and chemical resistance. This modification can lead to the development of advanced materials with tailored properties for specific applications in various industries.

InChI:InChI=1/C9H15NO4/c10-8(7(11)12)1-3-9(4-2-8)13-5-6-14-9/h1-6,10H2,(H,11,12)

Upstream product

• 851662-53-8 8-azido-1,4-dioxaspiro[4,5]decane-8-carboxylic acid 
• 54621-17-9 9,12-dioxa-2,4-diazadispiro[4.2.4^Λ{8}.2^Λ{5}]tetradecane-1,3-dione 
• 4746-97-8 cyclohexanedione monoethylene ketal 
• 506-87-6 ammonium carbonate 

Downstream Products

• 1285685-11-1 C₂₈H₃₁NO₄ 
• 1374226-58-0 C₂₆H₂₇NO₅ 
• 1374226-59-1 C₂₅H₂₄FNO₄ 
• 1374226-60-4 C₂₅H₂₄ClNO₄ 
• 1374226-61-5 C₂₅H₂₄ClNO₄ 
• 1374226-62-6 C₂₅H₂₄ClNO₄ 
• 1374226-63-7 C₂₅H₂₃Cl₂NO₄ 
• 1374226-64-8 C₂₅H₂₃Cl₂NO₄ 
• 1374226-65-9 C₂₅H₂₄BrNO₄ 
• 1374226-66-0 C₂₆H₂₄F₃NO₄ 
• 1374226-67-1 C₂₅H₂₄N₂O₆ 
• 1285684-95-8 C₂₀H₂₃NO₅ 
• 1285684-99-2 C₂₁H₂₅NO₄ 
• 1374226-68-2 C₂₃H₂₉NO₄ 

Relevant articles and documents

PROCESS FOR PREPARING SUBSTITUTED CYCLOHEXANE AMINO ACID ESTERS AND SPIROKETAL-SUBSTITUTED CYCLIC KETO-ENOLS

The present invention relates to a novel process for preparing substituted cyclohexane amino acid esters and spiroketal-substituted cyclic keto-enols, and to novel intermediates or starting compounds that are passed through or used in the process according to the invention.

Design, synthesis, and analysis of the quantitative structure-activity relationships of 4-phenyl-acyl-substituted 3-(2,5-dimethylphenyl)-4-hydroxy-1- azaspiro[4.5]dec-3-ene-2,8-dione derivatives

A series of 4-phenyl-acyl-substituted 3-(2,5-dimethylphenyl)-4-hydroxy-1- azaspiro[4.5]dec-3-ene-2,8-dione derivatives were designed and synthesized, and their structures were characterized using 1H NMR (or 13C NMR), mass spectrometry, and elemental analysis. The bioactivities of the new compounds were evaluated. These compounds exhibited good inhibition activities against bean aphids (Aphis fabae) and carmine spider mite (Tetranychus cinnabarinus), and 4-phenyl acyl esters showed stronger bioactivity than 4-arylesterases and alkyl esters. The results showed that compound 8-I-e, which contains a para-methoxy group on the phenyl acyl, and compound 8-I-m, which contains a para-trifluoromethyl group on the phenyl acyl, displayed potent insecticidal activity against A. fabae and T. cinnabarinus respectively. The insecticidal activity showed a clear structure-activity relationship, confirming the importance of the flexible bridge. The DFT/B3LYP/6-31(d) level method was used to calculate molecular geometries and electronic descriptors. These factors included total energy, charge distribution, and the linear orbital level of the title compounds. Quantitative structure-activity relationship studies were performed on these compounds using quantum-chemical and physicochemical parameters as independent variables and insecticidal activity as a dependent variable. Insecticidal activity was most closely correlated (r > 0.8) with quantum chemical and physicochemical parameters.

PEPTIDYL NITRILCOMPOUNDS AS PEPTIDASE INHIBITORS

The invention relates to compounds of Formula (II) and their use in theraphy as peptidase inhibitors.

A synthesis of optically active α-quaternary α-amino acids and esters by assembling three components, ketones, (R)-chloromethyl p-tolyl sulfoxide, and sodium azide, via sulfinyloxiranes

Treatment of lithium α-sulfinyl carbanion of chloromethyl p-tolyl sulfoxides with ketones at low temperature afforded adducts in almost quantitative yields, which were exposed to t-BuOK to give sulfinyloxiranes in high yields. The sulfinyloxirane was reac

Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR)

This invention provides new tetrahydrocarbazole derivatives that act as ligands for G-protein-coupled receptors (GPCR), especially as antagonists of the gonadotropin-releasing hormone (GnRH). A pharmaceutical composition that contains these new tetrahydro