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2-bromo-1-(1-Boc-piperidin-4-yl)ethanone, also known as BOC-4-Piperidinone Ethyl Bromo, is a complex organic chemical compound that falls under the category of pharmaceutical intermediates. It possesses the molecular formula C12H19BrN2O3 and a molecular weight of 341.195. This substance is primarily utilized in the chemical and pharmaceutical industry for research purposes or in the synthesis of other compounds. Its CAS number, 57413-43-1, signifies its classification and registration in the Chemical Abstracts Service, a division of the American Chemical Society. As with other chemicals, it is essential to handle and use this compound with caution, following safety protocols to prevent unintended reactions or health risks.

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  • 301221-79-4 Structure
  • Basic information

    1. Product Name: 2-bromo-1-(1-Boc-piperidin-4-yl)ethanone
    2. Synonyms: 2-bromo-1-(1-Boc-piperidin-4-yl)ethanone;4-(2-Bromoacetyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester;tert-Butyl 4-(bromoacetyl)piperidine-1-carboxylate;1-Boc-4-(2-broMo-acetyl)-piperidine;4-BroMoacetyl-1-(t-butoxycarbonyl)piperidine;4-(2-BroMo-acetyl)-piperidine-1-carboxylic acid tert-butyl ester;tert-Butyl 4-(2-bromoacetyl)
    3. CAS NO:301221-79-4
    4. Molecular Formula: C12H20BrNO3
    5. Molecular Weight: 306.1961
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 301221-79-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 368℃
    3. Flash Point: 176℃
    4. Appearance: /
    5. Density: 1.336
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. PKA: -2.47±0.40(Predicted)
    10. CAS DataBase Reference: 2-bromo-1-(1-Boc-piperidin-4-yl)ethanone(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-bromo-1-(1-Boc-piperidin-4-yl)ethanone(301221-79-4)
    12. EPA Substance Registry System: 2-bromo-1-(1-Boc-piperidin-4-yl)ethanone(301221-79-4)
  • 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: 301221-79-4(Hazardous Substances Data)

301221-79-4 Usage

Uses

Used in Pharmaceutical Industry:
2-bromo-1-(1-Boc-piperidin-4-yl)ethanone is used as a pharmaceutical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure and reactivity make it a valuable building block in the development of new drugs and medications.
Used in Chemical Research:
In the field of chemical research, 2-bromo-1-(1-Boc-piperidin-4-yl)ethanone is employed as a research chemical to study its properties, reactivity, and potential applications in the synthesis of other complex organic molecules. This helps in advancing the understanding of chemical reactions and the development of novel chemical processes.

Check Digit Verification of cas no

The CAS Registry Mumber 301221-79-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,0,1,2,2 and 1 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 301221-79:
(8*3)+(7*0)+(6*1)+(5*2)+(4*2)+(3*1)+(2*7)+(1*9)=74
74 % 10 = 4
So 301221-79-4 is a valid CAS Registry Number.

301221-79-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 4-(2-bromoacetyl)piperidine-1-carboxylate

1.2 Other means of identification

Product number -
Other names 1-Boc-4-(2-bromoacetyl)-piperidine

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:301221-79-4 SDS

301221-79-4Relevant articles and documents

Design, synthesis and biological evaluation of novel scaffold benzo[4,5]imidazo [1,2-a]pyrazin-1-amine: Towards adenosine A2A receptor (A2A AR) antagonist

Reddy, G. Lakshma,Sarma, Rupam,Liu, Shuhao,Huang, Weifeng,Lei, Jinping,Fu, Jiasheng,Hu, Wenhao

, (2021)

Antagonists of adenosine receptor are under exploration as potential drug candidates for treatment of neurological disorders, depression, certain cancers and potentially used as a cancer immunotherapy. Herein, we describe design and synthesis of novel scaffold benzo[4,5]imidazo [1,2-a]pyrazin-1-amine (6) derivatives. All the compounds were evaluated for A2A AR antagonist activity and displayed encouraging results (IC50 9–300 nM) of A2A AR antagonist binding affinity in biochemical assay. Compound 27 exhibits good activity in A2A AR antagonist cAMP functional assay (IC50 31 nM) and further this compound shows T-cell activation at the IL-2 production assay (EC50 165 nM). Molecular docking studies were carried out to rationalize the observed binding affinity of compound 27.

THERAPEUTIC METHODS AND COMPOUNDS

-

Page/Page column 23, (2020/11/03)

The invention provides a compound of formula I: (I) or a pharmaceutically acceptable salt thereof, wherein R1-R5 Y have any of the values described in the specification, as well as compositions comprising a compound of formula I. The compounds are useful to treat malaria.

P2X4 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF

-

Paragraph 00214, (2015/06/25)

Provided herein are P2X4 receptor modulating compounds, methods of their synthesis, pharmaceutical compositions comprising the compounds, and methods of their use. The compounds provided herein are useful for the treatment, prevention, and/or management of various disorders, including but not limited to, chronic pain, neuropathy, inflammatory diseases and central nervous system disorders.

Synthesis of 2,6-disubstituted-7,8-dihydro-6H-pyrano[2,3-6]pyrazines

Li, Jian-Cheng,Munchhof, Michael,Warmus, Joseph S.,Bonin, Paul D.,McClure, Kim F.

scheme or table, p. 852 - 853 (2012/03/08)

A straightforward synthesis of a 2,6-disubstituted-7,8-dihydro-6H-pyrano[2, 3-6]pyrazine is described. The synthesis relies on a versatile dichloropyrazine-aldehyde intermediate and an olefination partner.

NEW GPR119MODULATORS

-

, (2010/01/07)

The application relates to compounds of Formula (Ia): and pharmaceutically acceptable salts, solvates, hydrates, geometrical isomers, tautomers, optical isomersor N-oxides thereof. The application also relates to pharmaceutical compositions comprising these compounds and to the use of these compounds for the prophylaxis and treatment of medical conditions relating to disorders of the G-protein- coupled receptor GPR119, such as diabetes, obesity and osteoporosis.

2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS

-

Page/Page column 42, (2008/12/07)

Provided are compounds having the Formula (I) or salts thereof, wherein: L is O, S, SO, SO2, CHOH, C(O), or CH2; D2 is CR12 or N; R2 is aryl, heteroaryl, saturated or partially unsaturated cycloalkyl, or saturated or partially unsaturated heterocyclyl (optionally substituted with oxo), wherein said aryl, heteroaryl, cycloalkyl and heterocyclyl are monocyclic or bicyclic and are further optionally substituted with one or more groups independently selected from C1-C6 alkyl, F, Cl, Br, I, CF3, CN, OR6, C(=O)R6, C(=O)OR6, O(CH2)nC(=O)OR6, C(=O)NR6R7, NO2 and (1-6C alkyl)OR6; R3 is H, Br, OR6, SR6, C(O)OR6, C(O)NR6R7, C(O)R6, heteroaryl, or C1-C6 alkyl substituted with one or more groups independently selected from Vn-aryl, Vn-OR6, Vn- C(=O)OR6 and Vn-NR6R7; R11 is H or Cl; and R13 is N-(1 -6C alkanoyl)piperidin-4-yl; that are useful in the treatment and/or prevention of diseases mediated by deficient levels of glucokinase activity, such as diabetes mellitus. Also provided are methods of treating or preventing diseases and disorders characterized by underactivity of glucokinase or which can be treated by activating glucokinase.

CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY

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Page/Page column 96-97, (2008/06/13)

The present application describes modulators of MIP-1α of formula (I), or stereoisomers or prodrugs or pharmaceutically acceptable salts thereof, wherein n, A, T, R1, R2 and R8, are as defined herein. In addition, methods of treating and preventing inflammatory diseases such as asthma and allergic diseases, as well as autoimmune pathologies such as rheumatoid arthritis and atherosclerosis using the modulators of formula (I) are disclosed.

Potent 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists: Effects of fused heterocycles on antiviral activity and pharmacokinetic properties

Kim, Dooseop,Wang, Liping,Hale, Jeffrey J.,Lynch, Christopher L.,Budhu, Richard J.,MacCoss, Malcolm,Mills, Sander G.,Malkowitz, Lorraine,Gould, Sandra L.,Demartino, Julie A.,Springer, Martin S.,Hazuda, Daria,Miller, Michael,Kessler, Joseph,Hrin, Renee C.,Carver, Gwen,Carella, Anthony,Henry, Karen,Lineberger, Janet,Schleif, William A.,Emini, Emilio A.

, p. 2129 - 2134 (2007/10/03)

A series of 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists containing a variety of fused heterocycles at the 4-position of the piperidine side chain has been discovered, which are orally bioavailable with potent anti-HIV activity.

HETEROARYLPIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY

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Page 55, (2008/06/13)

The present invention is directed to compounds of the formula (I): (wherein R>12345610 and n are defined herein) which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptor CCR-2.

Syntheses and SAR studies of 4-(heteroarylpiperdin-1-yl-methyl)-pyrrolidin- 1-yl-acetic acid antagonists of the human CCR5 chemokine receptor

Shankaran,Donnelly, Karla L.,Shah, Shrenik K.,Guthikonda, Ravindra N.,MacCoss, Malcolm,Mills, Sander G.,Gould, Sandra L.,Malkowitz, Lorraine,Siciliano, Salvatore J.,Springer, Martin S.,Carella, Anthony,Carver, Gwen,Hazuda, Daria,Holmes, Karen,Kessler, Joseph,Lineberger, Janet,Miller, Michael D.,Emini, Emilio A.,Schleif, William A.

, p. 3419 - 3424 (2007/10/03)

Efforts toward the exploration of the title compounds as CCR5 antagonists are disclosed. The basis for such work stems from the fact that cellular proliferation of HIV-1 requires the cooperative assistance of both CCR5 and CD4 receptors. The synthesis and SAR of pyrrolidineacetic acid derivatives as CCR5 antagonists displaying potent binding and antiviral properties in a HeLa cell-based HIV-1 infectivity assay are discussed.

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