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Tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate is a chemical compound with the molecular formula C15H23NO4. It is a derivative of piperidine, featuring a tert-butyl ester group and a methoxy oxoethylidene substituent. tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate is recognized for its utility in organic synthesis, particularly within the pharmaceutical sector, where it serves as a building block for the creation of diverse drugs and drug intermediates. Its structural attributes and functional groups endow it with the adaptability to be modified or to contribute to the formation of novel chemical entities, positioning it as a valuable asset in medicinal chemistry and drug discovery. Beyond pharmaceutical applications, its potential extends to other industries such as agrochemicals, dyes, and materials science.

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  • 169206-65-9 Structure
  • Basic information

    1. Product Name: tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate
    2. Synonyms: tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate;1-Piperidinecarboxylic acid, 4-(2-Methoxy-2-oxoethylidene)-, 1,1-diMethylethyl ester;tert-butyl4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate(WX191795)
    3. CAS NO:169206-65-9
    4. Molecular Formula: C13H21NO4
    5. Molecular Weight: 255.31014
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 169206-65-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate(CAS DataBase Reference)
    10. NIST Chemistry Reference: tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate(169206-65-9)
    11. EPA Substance Registry System: tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate(169206-65-9)
  • 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: 169206-65-9(Hazardous Substances Data)

169206-65-9 Usage

Uses

Used in Pharmaceutical Industry:
Tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate is used as a building block in organic synthesis for the production of various drugs and drug intermediates. Its structural features and functional groups make it suitable for modifying and creating new chemical entities, contributing to the advancement of medicinal chemistry and drug discovery.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate is utilized for its potential to enhance the development of new pharmaceutical compounds. Its adaptability in structural modification allows for the exploration of its properties and applications in creating innovative therapeutic agents.
Used in Drug Discovery:
Tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate plays a role in drug discovery, where its unique structural elements and functional groups are leveraged to identify and develop new drug candidates with potential therapeutic benefits.
Used in Agrochemicals Industry:
Although not explicitly detailed in the provided materials, the compound's potential applications in the agrochemicals industry could be due to its ability to serve as a precursor or modifier in the synthesis of agrochemical products, contributing to the development of new pesticides or other agricultural chemicals.
Used in Dyes Industry:
Similarly, while not specified, the compound's use in the dyes industry might be attributed to its capacity to be integrated into the synthesis of dye molecules, potentially offering new colorants or improving existing dye properties.
Used in Materials Science:
In materials science, tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate may find applications in the development of new materials or the enhancement of existing ones, possibly due to its ability to influence material properties through its chemical structure and reactivity.

Check Digit Verification of cas no

The CAS Registry Mumber 169206-65-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,9,2,0 and 6 respectively; the second part has 2 digits, 6 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 169206-65:
(8*1)+(7*6)+(6*9)+(5*2)+(4*0)+(3*6)+(2*6)+(1*5)=149
149 % 10 = 9
So 169206-65-9 is a valid CAS Registry Number.

169206-65-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-Butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate

1.2 Other means of identification

Product number -
Other names tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate

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:169206-65-9 SDS

169206-65-9Relevant articles and documents

INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS

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Page/Page column 19-20; 22, (2021/06/26)

Provided is pharmaceutical composition for intranasal delivery, wherein the pharmaceutical composition includes a therapeutically active ingredient including a CGRP inhibitor. Also provided is a method for delivering a CGRP inhibitor to a subject, wherein

SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS

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Page/Page column 45, (2021/05/15)

The present disclosure relates to compounds of formula (I) that are useful as modulators of α7 nAChR, compositions comprising such compounds, and the use of such compounds for preventing, treating, or ameliorating disease, particularly disorders of the central nervous system such as cognitive impairments in Alzheimer's disease, Parkinson's disease, and schizophrenia, as well as for L-DOPA induced-dyskinesia and inflammation.

Pd-catalyzed regioselective C?H alkenylation and alkynylation of allylic alcohols with the assistance of a bidentate phenanthroline auxiliary

Hirano, Koji,Miura, Masahiro,Xu, Shibo

supporting information, p. 9059 - 9064 (2020/12/02)

A Pd-catalyzed regioselective C?H alkenylation of allylic alcohols with electron-deficient alkenes has been developed. The key to success is the introduction of bidentately coordinating phenanthroline directing group, which enables the otherwise challenging and regioselective C?H activation at the proximal alkenyl C?H bonds over the conceivably competitive allylic C?O bond activation. The same Pd/phenanthroline system is efficient for the C?H alkynylation of allylic alcohols with alkynyl bromides.

SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS

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Page/Page column 55-56, (2020/11/12)

The present disclosure relates to compounds of formula (I) that are useful as modulators of 7α nAChR, compositions comprising such compounds, and the use of such compounds for preventing, treating, or ameliorating disease, particularly disorders of the central nervous system such as cognitive impairments in Alzheimer's disease, Parkinson's disease, and schizophrenia, as well as for L-DOPA induced-dyskinesia and inflammation.

PYRIDAZINE DERIVATIVES AS SMARCA2/4 DEGRADERS

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Page/Page column 73-74, (2019/11/12)

The present invention provides pyridazine derivatives of formula (I), which are therapeutically useful as SMARCA2/4 degraders. These compounds are useful in the treatment and/or prevention of diseases or disorders dependent upon SMARCA2/4 in a mammal. The present invention also provides preparation of the compounds and pharmaceutical compositions comprising at least one of the pyridazine derivatives of formula (I) or a pharmaceutically acceptable salt, or a stereoisomer thereof.

SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS

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Page/Page column 66, (2019/11/19)

The present disclosure relates to compounds of formula I that are useful as modulators of 7 nAChR, compositions comprising such compounds, and the use of such compounds for preventing, treating, or ameliorating disease, particularly disorders of the central nervous system such as cognitive impairments in Alzheimer's disease, Parkinson's disease, and schizophrenia, as well as for L-DOPA induced-dyskinesia and inflammation (I).

Design, synthesis and biological evaluation of novel spiro-pentacylamides as acetyl-CoA carboxylase inhibitors

Wei, Qiangqiang,Mei, Liankuo,Yang, Yifei,Ma, Hui,Chen, Hongyi,Zhang, Huibin,Zhou, Jinpei

, p. 3866 - 3874 (2018/07/30)

Acetyl-CoA carboxylase (ACC) catalyzes the rate-determining step in de novo lipogenesis and plays an important role in the regulation of fatty acid oxidation. Therefore, ACC inhibition offers a promising option for intervention in nonalcoholic fatty liver disease (NAFLD), type 2 diabetes (T2DM) and cancer. In this paper, a series of spiropentacylamide derivatives were synthesized and evaluated for their ACC1/2 inhibitory activities and anti-proliferation effects on A549, H1975, HCT116, SW620 and Caco-2 cell lines in vitro. Compound 6o displayed potent ACC1/2 inhibitory activity (ACC1 IC50 = 0.527 μM, ACC2 IC50 = 0.397 μM) and the most potent anti-proliferation activities against A549, H1975, HCT116, SW620 and Caco-2 cell lines, with IC50 values of 1.92 μM, 0.38 μM, 1.22 μM, 2.05 μM and 5.42 μM respectively. Further molecular docking studies revealed that compound 6o maintained hydrogen bonds between the two carbonyls and protein backbone NHs (Glu-B2026 and Gly-B1958). These results indicate that compound 6o is a promising ACC1/2 inhibitor for the potent treatment of cancer.

3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF

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Paragraph 00351, (2017/09/27)

The present invention provides compounds, compositions thereof, and methods of using the same.

SPIROCYCLIC COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR

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Page/Page column 46-47, (2016/10/24)

This invention relates to compounds that are agonists of the muscarinic M1 and/or M4 receptor and which are useful in the treatment of muscarinic M1/M4 receptor mediated diseases. Also provided are pharmaceutical compositions containing the compounds and the therapeutic uses of the compounds. Compounds provided are of formula. (I) where p, q, r, s, X, Z, Y, R1, R2, R3and R4 are as defined herein.

INHIBITORS OF RENAL OUTER MEDULLARY POTASSIUM CHANNEL

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Page/Page column 54, (2016/09/22)

Disclosed are compounds of Formula I and the pharmaceutically acceptable salts thereof, which are inhibitors of the ROMK (Kir1.1) channel. The compounds may be used as diuretic and/or natriuretic agents and for the therapy and prophylaxis of medical conditions including cardiovascular diseases such as hypertension, heart failure and chronic kidney disease and conditions associated with excessive salt and water retention.

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