69947-09-7

Basic information

• Product Name: 4-CYANOCYCLOHEXANONE CYCLIC ETHYLENE ACETAL
• Synonyms: 4-CYANOCYCLOHEXANONE CYCLIC ETHYLENE ACETAL;1,4-Dioxaspiro[4.5]decane-8-carbonitrile;4-Cyanocyclohexanone Ethylene Acetal;8-Cyano-1,4-dioxaspiro[4.5]decane;1,4-Dioxaspiro[4.5]Decane-8-Carbonitrile(WXC03407)
• CAS NO: 69947-09-7
• Molecular Formula: C₉H₁₃NO₂
• Molecular Weight: 167.207
• Mol File: 69947-09-7.mol
• Article Data: 20

Chemical Properties

• Boiling Point: 308℃
• Flash Point: 128℃
• Appearance: /
• Density: 1.13
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.495
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 4-CYANOCYCLOHEXANONE CYCLIC ETHYLENE ACETAL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CYANOCYCLOHEXANONE CYCLIC ETHYLENE ACETAL(69947-09-7)
• EPA Substance Registry System: 4-CYANOCYCLOHEXANONE CYCLIC ETHYLENE ACETAL(69947-09-7)

Safety Data

• Hazardous Substances Data: 69947-09-7(Hazardous Substances Data)

Usage

Uses

4-Cyanocyclohexanone Cyclic Ethylene Acetal is used to prepare 1,2-dihydroquinolin-2-one and 1,2-dihydroquinoxalin-2-one derivatives as antibacterial agents. It is also used in the synthesis of heterocyclic sulfonamides as oral GlyT1 inhibitors.

InChI:InChI=1/C9H13NO2/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h8H,1-6H2

Upstream product

• 4746-97-8 cyclohexanedione monoethylene ketal 
• 38622-91-2 [(p-methylphenyl)sulfonylmethyl]isonitrile 
• 30482-25-8 (1,4-dioxa-spiro[4.5]dec-8-yl)-methyl-amine 
• 5697-44-9 p-tolylsulfonylmethyl isocyanide 
• 19158-51-1 P-toluenesulfonyl cyanide 
• 164987-79-5 1,5-Dibromopentan-3-one ethylene ketal 

Downstream Products

• 1272758-17-4 tert-butyl 8-oxo-2-azaspiro[4.5]decane-2-carboxylate 
• 1202009-10-6 C-[4-(1-benzyloxy-7-chloro-isoquinolin-6-yloxy)-cyclohexyl]-C-(4-methoxy-phenyl)-methylamine 
• 1202009-11-7 C-[4-(1-benzyloxy-7-chloro-isoquinolin-6-yloxy)-cyclohexyl]-C-(4-methoxy-phenyl)-methylamine 

Relevant articles and documents

Empirical Guidelines for the Development of Remote Directing Templates through Quantitative and Experimental Analyses

The ability to differentiate and selectively activate remote C-H bonds represents a perennial challenge in the field of C-H activation. Since its first report in 2012, a now-established "directing template"(DT) approach remains demonstrably effective for the functionalization of remote C-H bonds. As selectivity is hypothesized to be principally determined by the optimal positioning of the reactive catalyst to a target C-H bond, a DT's spatial factors are particularly important toward achieving high selectivity, though a systematic study on its requisite factors remain unelucidated. Through an in-depth analysis of 119 structurally unique published remote DTs, this report summarizes the key factors that are central toward achieving high selectivity at defined aryl positions, which are experimentally corroborated through the development of new aliphatic meta and para-selective DTs for electronically unbiased arenes. These empirical rules, which summarize key distance and geometric factors, are expected to be useful tools for the future development of site-selective arene C-H activation as well as other reactions that rely on covalent/noncovalent DT-mediated remote regioselection.

Preparation method of tert-butyl-8-oxo-2-azaspiro-[4.5] decane-2-formate

The invention relates to a preparation method of tert-butyl-8-oxo-2-azaspiro-[4.5] decane-2-formate, and mainly aims to solve the technical problems of high raw material cost, difficulty in reaction control, inconvenience in experimental operation and the like in an existing synthesis process. According to the method, tert-butyl-8-oxo-2-azaspiro-[4.5] decane-2-formate is prepared from cheap and easily available 1, 4-dioxaspiro [4.5] decane-8-one as an initial raw material through four steps of reaction. The reaction formula is shown in the specification. The tert-butyl-8-oxo-2-azaspiro-[4.5] decane-2-formate obtained in the invention is a useful intermediate or product synthesized from a plurality of medicines.

PYRIDINYL PYRAZOLES AS MODULATORS OF RORyT

The present invention comprises compounds of Formula I. wherein: R1, R3, R4, R5, R6, and Q are defined in the specification. The invention also comprises a method of treating or ameliorating a ROR-γ-t mediated syndrome, disorder or disease, including wherein the syndrome, disorder or disease is selected from the group consisting of rheumatoid arthritis, psoriatic arthritis, and psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.