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1-benzyl-4-piperidone oxime is a chemical compound with the molecular formula C14H17NO, derived from piperidone, a heterocyclic compound. It is commonly used as a reagent in organic synthesis and is known for its potential pharmacological properties.

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  • 949-69-9 Structure
  • Basic information

    1. Product Name: 1-benzyl-4-piperidone oxime
    2. Synonyms: 1-benzyl-4-piperidone oxime;1-Benzyl-piperidin-4-one oxime;1-Benzylpiperidine-4-oneoxime;N-[1-(phenylmethyl)piperidin-4-ylidene]hydroxylamine;1-benzyl-4-piperidon;4-Piperidinone,1-(phenylMethyl)-, oxiMe;N-benzyl-4-(N-hydroxyimino)piperidine
    3. CAS NO:949-69-9
    4. Molecular Formula: C12H16N2O
    5. Molecular Weight: 204.26824
    6. EINECS: 213-443-1
    7. Product Categories: Piperidine
    8. Mol File: 949-69-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 338.5°C at 760 mmHg
    3. Flash Point: 158.5°C
    4. Appearance: /
    5. Density: 1.12g/cm3
    6. Vapor Pressure: 3.82E-05mmHg at 25°C
    7. Refractive Index: 1.582
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-benzyl-4-piperidone oxime(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-benzyl-4-piperidone oxime(949-69-9)
    12. EPA Substance Registry System: 1-benzyl-4-piperidone oxime(949-69-9)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 949-69-9(Hazardous Substances Data)

949-69-9 Usage

Uses

Used in Organic Synthesis:
1-benzyl-4-piperidone oxime is used as a reagent in organic synthesis for the preparation of other chemical compounds and in various chemical reactions.
Used in Pharmaceutical Industry:
1-benzyl-4-piperidone oxime is used as an intermediate in the synthesis of pharmaceuticals for its potential use in the treatment of various medical conditions.
Used in Agrochemical Industry:
1-benzyl-4-piperidone oxime is used as a precursor in the synthesis of agrochemicals, contributing to the development of new and effective products in agriculture.
Used in Specialty Chemicals Industry:
1-benzyl-4-piperidone oxime is used as a building block in the synthesis of specialty chemicals, enabling the creation of unique and high-value products.
Safety Precautions:
It is important to handle 1-benzyl-4-piperidone oxime with caution, as it may have toxic properties. Proper safety protocols should be followed during its use and handling to minimize potential risks.

Check Digit Verification of cas no

The CAS Registry Mumber 949-69-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 9,4 and 9 respectively; the second part has 2 digits, 6 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 949-69:
(5*9)+(4*4)+(3*9)+(2*6)+(1*9)=109
109 % 10 = 9
So 949-69-9 is a valid CAS Registry Number.
InChI:InChI=1/C12H16N2O/c15-13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2

949-69-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Benzylpiperidin-4-one oxime

1.2 Other means of identification

Product number -
Other names 1-benzyl-4-piperidone oxime

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:949-69-9 SDS

949-69-9Relevant articles and documents

ANTIVIRAL OXIME PHOSPHORAMIDE COMPOUNDS

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Page/Page column 28; 30, (2017/07/06)

Compounds of Formula I: I and their pharmaceutically acceptable salts are useful for the inhibition of HIV reverse transcriptase. The compounds may also be useful for the prophylaxis or treatment of infection by HIV and in the prophylaxis, delay in the onset or progression, and treatment of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antiviral agents, immunomodulators, antibiotics or vaccines.

1-(3-AMINOPROPYL) SUBSTITUTED CYCLIC AMINE COMPOUNDS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF

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Paragraph 0086; 0087, (2017/04/11)

Provided are 1-(3-aminopropyl) substituted cyclic amine compounds as represented by formula (I), pharmaceutically acceptable salts, enantiomers, diastereoisomers, racemates and mixtures thereof, and a method of synthesizing said 1-(3-aminopropyl) substituted cyclic amine compounds by using aromatic heterocyclic formaldehyde as raw material. Said compounds can be used as CCR 5 antagonist for the treatment of HIV infection.

SUBSTITUTED 1-ARYLETHYL-4-ACYLAMINOPIPERIDINE DERIVATIVES AS OPIOID/ALPHA-ADRENORECEPTOR MODULATORS AND METHOD OF THEIR PREPARATION

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Page/Page column 12-13, (2016/03/13)

The invention provides compounds that bind with high affinities to the μ-, δ- and κ- opioid receptors and α2 - adrenoreceptor. In addition to providing these compounds with novel pharmacological binding properties, the invention also describes detailed novel methods for the preparation of representative compounds and a scheme for the synthesis of related compounds that bind to the opioid receptors and/or α2 - adrenoreceptor.

NOVEL TRIAZINE COMPOUNDS

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Page/Page column 124, (2014/02/16)

The present invention relates to novel triazine compounds of formula (1). The present invention also discloses compounds of formula I along with other pharmaceutical ac-ceptable excipients and use of the compounds to modulate the PI3K/ mTOR pathway

Discovery of novel indolinone-based, potent, selective and brain penetrant inhibitors of LRRK2

Troxler, Thomas,Greenidge, Paulette,Zimmermann, Kaspar,Desrayaud, Sandrine,Drückes, Peter,Schweizer, Tatjana,Stauffer, Daniela,Rovelli, Giorgio,Shimshek, Derya R.

, p. 4085 - 4090 (2013/07/25)

Mutations in leucine-rich repeat kinase-2 (LRRK2) are the most common genetic cause of Parkinson's disease (PD). The most frequent kinase-enhancing mutation is the G2019S residing in the kinase activation domain. This opens up a promising therapeutic avenue for drug discovery targeting the kinase activity of LRRK2 in PD. Several LRRK2 inhibitors have been reported to date. Here, we report a selective, brain penetrant LRRK2 inhibitor and demonstrate by a competition pulldown assay in vivo target engagement in mice.

Synthesis and evaluation of multi-target-directed ligands against Alzheimer's disease based on the fusion of donepezil and ebselen

Luo, Zonghua,Sheng, Jianfei,Sun, Yang,Lu, Chuanjun,Yan, Jun,Liu, Anqiu,Luo, Hai-Bin,Huang, Ling,Li, Xingshu

supporting information, p. 9089 - 9099 (2014/01/06)

A novel series of compounds obtained by fusing the cholinesterase inhibitor donepezil and the antioxidant ebselen were designed as multi-target-directed ligands against Alzheimer's disease. An in vitro assay showed that some of these molecules did not exhibit highly potent cholinesterase inhibitory activity but did have various other ebselen-related pharmacological effects. Among the molecules, compound 7d, one of the most potent acetylcholinesterase inhibitors (IC50 values of 0.042 μM for Electrophorus electricus acetylcholinesterase and 0.097 μM for human acetylcholinesterase), was found to be a strong butyrylcholinesterase inhibitor (IC50 = 1.586 μM), to possess rapid H2O2 and peroxynitrite scavenging activity and glutathione peroxidase-like activity (ν0 = 123.5 μM min-1), and to be a substrate of mammalian TrxR. A toxicity test in mice showed no acute toxicity at doses of up to 2000 mg/kg. According to an in vitro blood-brain barrier model, 7d is able to penetrate the central nervous system.

NOVEL TRIAZINE COMPOUNDS

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Page/Page column 73, (2012/08/08)

The present invention relates to novel triazine compounds of formula (1), methods of their preparation, pharmaceutical compositions containing these compounds and the use of these compounds to treat proliferative disorders such as tumors and cancers and also other conditions and disorders related to or associated with dysregulation of PI3 Kinases, PI3 Kinase pathway, mTOR and/ or the mTOR pathway.

Design and synthesis of 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2- yl)-1H-quinolin-2-ones as VEGFR-2 kinase inhibitors

Han, Sun-Young,Choi, Jie Won,Yang, Jeon,Chae, Chong Hack,Lee, Jongkook,Jung, Heejung,Lee, Kwangho,Ha, Jae Du,Kim, Hyoung Rae,Cho, Sung Yun

scheme or table, p. 2837 - 2842 (2012/05/20)

A series of 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H- quinolin-2-ones have been identified as a new class of VEGFR-2 kinase inhibitors. A variety of (4,5,6,7-tetrahydro-imidazo[5,4-c]pyridin-2-yl)-acetic acid ethyl esters were synthesized, and their VEGFR-2 inhibitory activity was evaluated. Described herein are the preparation of the series and the effects of the compounds on VEGFR-2 kinase activity.

Efficient synthesis and identification of novel propane-1,3-diamino bridged CCR5 antagonists with variation on the basic center carrier

Fan, Xing,Zhang, Hu-Shan,Chen, Li,Long, Ya-Qiu

experimental part, p. 2827 - 2840 (2010/08/22)

By employing pharmacophore-based design and the privileged fragments reassembly, a series of piperidine-/tropane-/piperazine-bridged CCR5 antagonists were designed and synthesized via an efficient convergent synthesis strategy, with focus on the optimal choice of the basic center carrier structure. Significantly, the 4-amino-4-methylpiperidine bridged 1-acyl-1,3-propanediamine compounds were identified as a new class of nanomolar CCR5 antagonists, providing an efficient approach and novel scaffolds for further development of potent CCR5 inhibitors.

Quinolizinone type compounds

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, (2008/06/13)

Antibacterial compounds having the formula STR1 and the pharmaceutically acceptable salts, esters and amides thereof, preferred examples of which include those compounds wherein A is =CR6 --; R1 is cycloalkyl of from three to eight carbon atoms or substituted phenyl; R2 is selected from the group consisting of STR2 R3 is halogen; R4 is hydrogen, loweralkyl, a pharmaceutically acceptable cation, or a prodrug ester group; R5 is hydrogen, loweralkyl, halo(loweralkyl), or --NR13 R14 ; and R6 is halogen, loweralkyl, halo(loweralkyl), hydroxy-substituted loweralkyl, loweralkoxy(loweralkyl), loweralkoxy, or amino(loweralkyl), as well as pharmaceutical compositions containing such compounds and the use of the same in the treatment of bacterial infections.

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