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(1-Benzylpiperidin-4-ylidene)acetic acid ethyl ester is a versatile chemical compound with the molecular formula C17H21NO2, belonging to the category of piperidines, which are bicyclic heterocyclic compounds. (1-BENZYLPIPERIDIN-4-YLIDENE)ACETIC ACID ETHYL ESTER is commonly used as a precursor in the synthesis of pharmaceutical drugs, particularly those targeting the central nervous system. Its ethyl ester form, derived from acetic acid, and the presence of a benzyl group attached to the piperidine ring, provide stability and make it useful in various chemical reactions. The carboxylic acid group also allows it to participate in reactions involving carboxylic acid derivatives, making (1-Benzylpiperidin-4-ylidene)acetic acid ethyl ester a valuable component in organic synthesis and drug development.

40110-55-2

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40110-55-2 Usage

Uses

Used in Pharmaceutical Industry:
(1-Benzylpiperidin-4-ylidene)acetic acid ethyl ester is used as a precursor in the synthesis of pharmaceutical drugs, particularly for those targeting the central nervous system. Its unique structure and functional groups make it a valuable component in the development of new medications.
Used in Organic Synthesis:
(1-Benzylpiperidin-4-ylidene)acetic acid ethyl ester is used as a versatile building block in organic synthesis. The presence of the benzyl group and carboxylic acid group allows it to participate in various chemical reactions, making it a useful compound for the creation of new organic molecules and materials.

Check Digit Verification of cas no

The CAS Registry Mumber 40110-55-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,1,1 and 0 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 40110-55:
(7*4)+(6*0)+(5*1)+(4*1)+(3*0)+(2*5)+(1*5)=52
52 % 10 = 2
So 40110-55-2 is a valid CAS Registry Number.
InChI:InChI=1/C16H21NO2/c1-2-19-16(18)12-14-8-10-17(11-9-14)13-15-6-4-3-5-7-15/h3-7,12H,2,8-11,13H2,1H3

40110-55-2SDS

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 Ethyl 2-(1-benzyl-4-piperidinylidene)acetate

1.2 Other means of identification

Product number -
Other names ethyl 2-(1-benzylpiperidin-4-ylidene)acetate

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:40110-55-2 SDS

40110-55-2Relevant academic research and scientific papers

Design and synthesis of N-benzylpiperidine-purine derivatives as new dual inhibitors of acetyl- and butyrylcholinesterase

Rodriguez-Franco, Maria Isabel,Fernandez-Bachiller, Maria Isabel,Perez, Concepcion,Castro, Ana,Martinez, Ana

, p. 6795 - 6802 (2005)

The synthesis and biological evaluation of N-benzyl-(piperidin or pyrrolidin)-purines are described. Compounds derived from N-benzylpiperidine and N-substituted purines showed moderate acetylcholinesterase inhibition. Preliminary structure-activity relati

METHOD FOR PRODUCING N-ALKOXYCARBONYLPIPERIDINE DERIVATIVE, AND INTERMEDIATE THEREFOR

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Paragraph 0070-0071, (2021/04/30)

The object of the present invention is to provide a simple method for preparing an N-alkoxycarbonyl piperidine derivative. The object can be solved by a method for preparing a hydroxypiperidine derivative, comprising a step of: (A) reacting a piperidylide

Iron-Catalyzed Radical Activation Mechanism for Denitrogenative Rearrangement Over C(sp3)–H Amination

Roy, Satyajit,Das, Sandip Kumar,Khatua, Hillol,Das, Subrata,Singh, Krishna Nand,Chattopadhyay, Buddhadeb

supporting information, p. 8772 - 8780 (2021/03/16)

An iron-catalyzed denitrogenative rearrangement of 1,2,3,4-tetrazole is developed over the competitive C(sp3)–H amination. This catalytic rearrangement reaction follows an unprecedented metalloradical activation mechanism. Employing the developed method, a wide number of complex-N-heterocyclic product classes have been accessed. The synthetic utility of this radical activation method is showcased with the short synthesis of a bioactive molecule. Collectively, this discovery underlines the progress of radical activation strategy that should find wide application in the perspective of medicinal chemistry, drug discovery and natural product synthesis research.

3,9-DIAZASPIRO[5.5]UNDECANE COMPOUNDS

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Page/Page column 262, (2020/04/09)

The present invention covers 3,9-diazaspiro[5.5]undecane compounds of general formula (I) and general formula (I-a), in which R1, R2, R3 and R4 are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment and/or prophylaxis of diseases, in particular of hyperproliferative disorders, as a sole agent or in combination with other active ingredients.

Design, synthesis and biological evaluation of novel copper-chelating acetylcholinesterase inhibitors with pyridine N-benzylpiperidine fragments

Zhou, Yeheng,Sun, Wei,Peng, Jiale,Yan, Hui,Zhang, Li,Liu, Xingyong,Zuo, Zhili

, (2019/10/08)

Cholinergic depletion is the direct cause of disability and dementia among AD patients. AChE is a classical and key target of cholinergic disorders. Some new inhibitors of AChE combining pyridine, acylhydrazone and N-benzylpiperidine fragments were developed in this work. The hit structure was optimized to yield the compound 21 with an IC50 value of 6.62 nM against AChE, while almost no inhibitory effect against BChE. ADMET predictions and PAMPA permeability evaluation showed good drug-like property. The higher activity with an intermediate alkyl chain substitution indicates a new binding mode of inhibitor with AChE. This finding provides new insights into the binding mechanism and is helpful for discovery of novel high-activity AChE inhibitors.

FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS

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Paragraph 0380; 0381, (2018/06/26)

The invention is fused heterocyclic compounds of formula (I), and salts thereof, compositions thereof, and methods of use therefor. In particular, disclosed herein are certain fused heterocyclic compounds that can be useful for inhibiting protein kinase, including Bruton’ s tyrosine kinase (Btk), and for treating disorders mediated thereby.

Design, synthesis, and evaluation of multitarget-directed ligands against Alzheimer's disease based on the fusion of donepezil and curcumin

Yan, Jun,Hu, Jinhui,Liu, Anqiu,He, Lin,Li, Xingshu,Wei, Hui

, p. 2946 - 2955 (2017/05/25)

By fusing donepezil and curcumin, a novel series of compounds were obtained as multitarget-directed ligands against Alzheimer's disease. Among them, compound 11b displayed potent acetylcholinesterase (AChE) inhibition (IC50?=?187?nM) and the highest BuChE/AChE selectivity (66.3). Compound 11b also inhibited 45.3% Aβ1–42 self-aggregation at 20?μM and displayed remarkable antioxidant effects. The metal-chelating property of compound 11b was elucidated by determining the 1:1 stoichiometry for the 11b–Cu(II) complex. The excellent blood–brain barrier permeability of 11b also indicated the potential for the compound to penetrate the central nervous system.

GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME

-

Paragraph 0268; 0269, (2015/06/24)

Disclosed are a gonadotropin releasing hormone receptor antagonist and a pharmaceutical composition including the same, which can be useful in preventing or treating a sex hormone-related disease such as endometriosis, amenorrhea, irregular menstruation, uterine myoma, uterine fibroids, polycystic ovarian disease, lupus erythematous, hypertrichosis, precocious puberty, short stature, acne, alopecia, gonadal steroid-dependent neoplasms, gonadotropin-producing pituitary adenoma, sleep apnea, irritable bowel syndrome, premenstrual syndrome, benign prostatic hyperplasia, contraception, and infertility, as well as Alzheimer disease.

Therapeutic Uses

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Paragraph 0081; 0135; 0136, (2015/03/28)

This invention relates to novel therapeutic uses for compounds which are inverse agonists of the H3 receptor. In particular this invention relates to therapeutic use of these compounds in the treatment of Multiple Sclerosis.

FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS

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Paragraph 0378; 0380; 0381, (2014/11/13)

The invention is fused heterocyclic compounds of formula (I), and salts thereof, compositions thereof, and methods of use therefor. In particular, disclosed herein are certain fused heterocyclic compounds that can be useful for inhibiting protein kinase, including Bruton's tyrosine kinase (Btk), and for treating disorders mediated thereby.

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