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Tert-Butyl 4-(prop-2-ynyl)piperazine-1-carboxylate, with the CAS Number 147506-05-0, is an organic compound that features piperazine and prop-2-ynyl groups. It has a molecular formula of C12H20N2O2 and shares properties with other piperazine derivatives. This chemical is typically synthesized in a laboratory setting and is not found naturally. It is recognized for its potential bioactivity, making it a candidate for pharmaceutical research and development. However, due to limited information on its biological effects, toxicity, and safety, it requires careful handling and application.

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  • 199538-99-3 Structure
  • Basic information

    1. Product Name: tert-Butyl 4-(prop-2-ynyl)piperazine-1-carboxylate
    2. Synonyms: tert-Butyl 4-(prop-2-ynyl)piperazine-1-carboxylate;1-Boc-4-(2-propyn-1-yl)piperazine;4-Prop-2-ynyl-piperazine-1-carboxylic acid tert-butyl ester;tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate
    3. CAS NO:199538-99-3
    4. Molecular Formula: C12H20N2O2
    5. Molecular Weight: 224.3
    6. EINECS: N/A
    7. Product Categories: pharmacetical
    8. Mol File: 199538-99-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 292.8°C at 760 mmHg
    3. Flash Point: 130.9°C
    4. Appearance: /
    5. Density: 1.05g/cm3
    6. Vapor Pressure: 0.00179mmHg at 25°C
    7. Refractive Index: 1.493
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: tert-Butyl 4-(prop-2-ynyl)piperazine-1-carboxylate(CAS DataBase Reference)
    11. NIST Chemistry Reference: tert-Butyl 4-(prop-2-ynyl)piperazine-1-carboxylate(199538-99-3)
    12. EPA Substance Registry System: tert-Butyl 4-(prop-2-ynyl)piperazine-1-carboxylate(199538-99-3)
  • 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: 199538-99-3(Hazardous Substances Data)

199538-99-3 Usage

Uses

Used in Pharmaceutical Research and Development:
Tert-Butyl 4-(prop-2-ynyl)piperazine-1-carboxylate is utilized as a chemical intermediate for the synthesis of new pharmaceutical products. Its presence in the compound structure suggests potential bioactivity, which is crucial for the development of novel drugs.
Used in Laboratory Settings:
tert-Butyl 4-(prop-2-ynyl)piperazine-1-carboxylate is employed as a research tool in laboratories, where scientists investigate its chemical properties and potential interactions with biological systems. The study of such compounds can lead to a better understanding of their applications in medicine and other fields.
Used in Chemical Synthesis:
In the chemical industry, tert-Butyl 4-(prop-2-ynyl)piperazine-1-carboxylate is used as a building block for the synthesis of more complex molecules. Its unique structure allows for the creation of a variety of chemical entities, which can be further explored for their potential uses in different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 199538-99-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,9,9,5,3 and 8 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 199538-99:
(8*1)+(7*9)+(6*9)+(5*5)+(4*3)+(3*8)+(2*9)+(1*9)=213
213 % 10 = 3
So 199538-99-3 is a valid CAS Registry Number.
InChI:InChI=1/C12H20N2O2/c1-5-6-13-7-9-14(10-8-13)11(15)16-12(2,3)4/h1H,6-10H2,2-4H3

199538-99-3SDS

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 tert-butyl 4-prop-2-ynylpiperazine-1-carboxylate

1.2 Other means of identification

Product number -
Other names 4--prop-2-ynyl-piperazine-1-carboxylic acid tert-butyl ester

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:199538-99-3 SDS

199538-99-3Relevant articles and documents

Synthesis of macrolones with central piperazine ring in the linker and its influence on antibacterial activity

Kapi?, Samra,?ip?i? Paljetak, Hana,Palej Jakopovi?, Ivana,Fajdeti?, Andrea,Ilija?, Marina,?timac, Vlado,Braj?a, Karmen,Holmes, David J.,Berge, John,Alihod?i?, Sulejman

, p. 7281 - 7298 (2011)

Three macrolides, clarithromycin, azithromycin and 11-O-Me-azithromycin have been selected for the construction of a series of new macrolone derivatives. Quinolone-linker intermediates are prepared by Sonogashira-type C(6)-alkynylation of 6-iodoquinolone precursors. The final macrolones, differing by macrolide moiety and substituents at the position N-1 of the quinolone or by the presence of an ethyl ester or free acid on the quinolone unit attached via a linker. The linker comprises of a central piperazine ring bonded to the 4″-O position of cladinose by 3-carbon ester or ether functionality. Modifications of the linker did not improve antibacterial properties compared to the previously reported macrolone compounds. Linker flexibility seems to play an important role for potency against macrolide resistant respiratory pathogens.

MDM2 DEGRADERS AND USES THEREOF

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Paragraph 001633; 001634-001635, (2021/09/26)

The present invention relates to compounds and methods useful for the modulation of mouse double minute 2 homolog ("MDM2") protein via ubiquitination and/or degradation by compounds according to the present invention.

ISOINDOLINE DERIVATIVES WHICH BIND TO AN ATP BINDING SITE

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Paragraph 00155-00156, (2021/07/31)

The present invention relates to novel probe compounds of formulae I and II defined herein. The present invention also relates to methods of synthesising these novel probe compounds and to their use in assays and screens for determining the binding of a test molecule to the ATP-binding site of a target protein, such as, for example, the Mismatch Repair (MMR) component proteins PMS2 and MLH1, or for determining the location and/or quantity of such target proteins in a biological sample.

RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF

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Paragraph 00292, (2020/07/06)

Provided herein are a RET inhibitor, a pharmaceutical composition thereof and uses thereof. In particular, provided is a compound having Formula (I) or a stereoisomer, a geometric isomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof. Provided is a pharmaceutical composition comprising the compound, and uses of the compound and pharmaceutical composition thereof for the preparation of a medicament, in particular for treatment and prevention of RET-related diseases and conditions, including cancer, irritable bowel syndrome, and/or pain associated with irritable bowel syndrome.

RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF

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Paragraph 00230; 00339, (2020/07/05)

Provided herein are a RET inhibitor, a pharmaceutical composition thereof and uses thereof. In particular, provided is a compound having Formula (I) or a stereoisomer, a geometric isomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof. Provided is a pharmaceutical composition comprising the compound, and uses of the compound and pharmaceutical composition thereof for the preparation of a medicament, in particular for treatment and prevention of RET-related diseases and conditions, including cancer, irritable bowel syndrome, and/or pain associated with irritable bowel syndrome.

GLP-1R AGONISTS AND USES THEREOF

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Page/Page column 64; 104, (2020/06/10)

Provided are compounds of Formula (I) and pharmaceutical compositions thereof, for use in, e.g. treating type 2 diabetes mellitus, pre-diabetes, obesity, non-alcoholic fatty liver disease, non-alcoholic steatohepatitis, and cardiovascular disease.

Synthesis and anti-neuroinflammatory activity of N-heterocyclic analogs based on natural biphenyl-neolignan honokiol

Yuan, Yue,Subedi, Lalita,Lim, Daesung,Jung, Jae-Kyung,Kim, Sun Yeou,Seo, Seung-Yong

supporting information, p. 329 - 333 (2018/11/27)

Novel isoxazole and pyrazole analogs based on natural biphenyl-neolignan honokiol were synthesized and evaluated for their inhibitory activities against nitric oxide production in lipopolysaccharide-activated BV-2 microglial cells. The isoxazole skeleton

Divergent synthesis of 5′,7′-difluorinated dihydroxanthene-hemicyanine fused near-infrared fluorophores

Zheng, Shasha,Lingyue, Gu,Ong, Michelle Jui Hsien,Jacquemin, Denis,Romieu, Anthony,Richard, Jean-Alexandre,Srinivasan, Rajavel

supporting information, p. 4291 - 4300 (2019/05/10)

We describe an expedient access to a 5′,6′,7′-trifluoro dihydroxanthene-hemicyanine fused scaffold in 2 steps and 54% overall yield from the corresponding salicylic aldehyde. A 6′-regioselective nucleophilic aromatic substitution (SNAr) reactio

COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR

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Paragraph 0449-0453, (2018/04/20)

The present disclosure relates to bifunctional compounds, which find utility to degrade and (inhibit) Androgen Receptor. In particular, the present disclosure is directed to compounds, which contain on one end a cereblon ligand which binds to the E3 ubiquitin ligase and on the other end a moiety which binds Androgen Receptor, such that Androgen Receptor is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of Androgen Receptor. The present disclosure exhibits a broad range of pharmacological activities associated with compounds according to the present disclosure, consistent with the degradation/inhibition of Androgen Receptor.

COMPOUNDS THAT INDUCE DEGRADATION OF ANTI-APOPTOTIC BCL-2 FAMILY PROTEINS AND THE USES THEREOF

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Paragraph 0176, (2017/11/15)

The present disclosure provides compositions and methods for selectively killing senescent cells, wherein the composition comprises a compound of Formula (I) or a compound of Formula (II). The selective killing of senescent cells may delay aging and/or treat age-related disorders.

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