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2-Cyanomethyl-morpholine-4-carboxylic acid tert-butyl ester, also known as CARBOXYLICACIDT-BUTYLESTER, is a versatile chemical compound characterized by its catalytic properties. It facilitates the acceleration of chemical reactions without undergoing chemical changes itself. With a molecular formula of C14H25N2O3, this compound is composed of 14 carbon atoms, 25 hydrogen atoms, 2 nitrogen atoms, and 3 oxygen atoms, allowing for diverse interactions and reactions with other elements.

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  • 259180-69-3 Structure
  • Basic information

    1. Product Name: 2-CYANOMETHYL-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER
    2. Synonyms: 2-CYANOMETHYL-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER
    3. CAS NO:259180-69-3
    4. Molecular Formula: C11H18N2O3
    5. Molecular Weight: 226.27
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 259180-69-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 358.3±27.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.094±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: -2.34±0.40(Predicted)
    10. CAS DataBase Reference: 2-CYANOMETHYL-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-CYANOMETHYL-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER(259180-69-3)
    12. EPA Substance Registry System: 2-CYANOMETHYL-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER(259180-69-3)
  • 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: 259180-69-3(Hazardous Substances Data)

259180-69-3 Usage

Uses

Used in Chemical Catalysts:
2-Cyanomethyl-morpholine-4-carboxylic acid tert-butyl ester is used as a catalyst in various chemical reactions for its ability to speed up the process without being consumed in the reaction. This property makes it valuable in enhancing the efficiency and reducing the time required for chemical synthesis.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-Cyanomethyl-morpholine-4-carboxylic acid tert-butyl ester is utilized as an intermediate in the synthesis of various drugs. Its unique structure allows it to participate in the formation of complex molecules, contributing to the development of new medications.
Used in Material Science:
2-Cyanomethyl-morpholine-4-carboxylic acid tert-butyl ester is employed in material science for the development of novel materials with specific properties. Its reactivity and compatibility with other elements make it suitable for creating advanced materials with tailored characteristics for various applications.
Used in Research and Development:
In research and development, 2-Cyanomethyl-morpholine-4-carboxylic acid tert-butyl ester serves as a key component in exploring new chemical reactions and mechanisms. Its versatility in reacting with different elements aids scientists in understanding and optimizing reaction pathways, leading to innovative discoveries and advancements in the field of chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 259180-69-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,5,9,1,8 and 0 respectively; the second part has 2 digits, 6 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 259180-69:
(8*2)+(7*5)+(6*9)+(5*1)+(4*8)+(3*0)+(2*6)+(1*9)=163
163 % 10 = 3
So 259180-69-3 is a valid CAS Registry Number.

259180-69-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 2-(cyanomethyl)morpholine-4-carboxylate

1.2 Other means of identification

Product number -
Other names 2-(cyanomethyl)-4-morpholinecarboxylic 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:259180-69-3 SDS

259180-69-3Relevant articles and documents

Template-Hopping Approach Leads to Potent, Selective, and Highly Soluble Bromo and Extraterminal Domain (BET) Second Bromodomain (BD2) Inhibitors

Aylott, Helen E.,Atkinson, Stephen J.,Bamborough, Paul,Bassil, Anna,Chung, Chun-Wa,Gordon, Laurie,Grandi, Paola,Gray, James R. J.,Harrison, Lee A.,Hayhow, Thomas G.,Messenger, Cassie,Mitchell, Darren,Phillipou, Alexander,Preston, Alex,Prinjha, Rab K.,Rianjongdee, Francesco,Rioja, Inmaculada,Seal, Jonathan T.,Wall, Ian D.,Watson, Robert J.,Woolven, James M.,Demont, Emmanuel H.

, p. 3249 - 3281 (2021/04/06)

A number of reports have recently been published describing the discovery and optimization of bromo and extraterminal inhibitors which are selective for the second bromodomain (BD2); these include our own work toward GSK046 (3) and GSK620 (5). This paper describes our approach to mitigating the genotoxicity risk of GSK046 by replacement of the acetamide functionality with a heterocyclic ring. This was followed by a template-hopping and hybridization approach, guided by structure-based drug design, to incorporate learnings from other BD2-selective series, optimize the vector for the amide region, and explore the ZA cleft, leading to the identification of potent, selective, and bioavailable compounds 28 (GSK452), 39 (GSK737), and 36 (GSK217).

IRAK DEGRADERS AND USES THEREOF

-

, (2020/06/19)

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

GSK973 Is an Inhibitor of the Second Bromodomains (BD2s) of the Bromodomain and Extra-Terminal (BET) Family

Preston, Alex,Atkinson, Stephen J.,Bamborough, Paul,Chung, Chun-Wa,Gordon, Laurie J.,Grandi, Paola,Gray, James R. J.,Harrison, Lee A.,Lewis, Antonia J.,Lugo, David,Messenger, Cassie,Michon, Anne-Marie,Mitchell, Darren J.,Prinjha, Rab K.,Rioja, Inmaculada,Seal, Jon,Taylor, Simon,Thesmar, Pierre,Wall, Ian D.,Watson, Robert J.,Woolven, James M.,Demont, Emmanuel H.

, p. 1581 - 1587 (2020/09/22)

Pan-BET inhibitors have shown profound efficacy in a number of in vivo preclinical models and have entered the clinic in oncology trials where adverse events have been reported. These inhibitors interact equipotently with the eight bromodomains of the BET family of proteins. To better understand the contribution of each domain to their efficacy and to improve from their safety profile, selective inhibitors are required. This Letter discloses the profile of GSK973, a highly selective inhibitor of the second bromodomains of the BET proteins that has undergone extensive preclinical in vitro and in vivo characterization.

PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES

-

Page/Page column 33; 57; 58, (2019/11/04)

The present invention relates to pyrazolo [1,5 -a] [1,3,5 ]triazine and pyrazolo[1,5-a] pyrimidine derivatives and/or pharmaceutically acceptable salts thereof, the use of these derivatives as pharmaceutically active agents, especially for the prophylaxis and/or treatment of cell proliferative diseases, inflammatory diseases, immunological diseases, cardiovascular diseases and infectious diseases. Furthermore, the present invention is directed towards pharmaceutical compositions containing at least one of the pyrazo lo [1,5-a][1,3,5 ]triazine and pyrazolo [1,5-a]pyrimidine derivatives and/or pharmaceutically acceptable salts thereof.

IRAK DEGRADERS AND USES THEREOF

-

, (2019/07/10)

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

PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS

-

, (2017/11/04)

The present invention relates to compounds of formula (I) and salts thereof, pharmaceutical compositions containing such compounds and to their use in therapy.

BENZO[B]FURANS AS BROMODOMAIN INHIBITORS

-

, (2017/11/06)

The present invention relates to compounds of formula (I) and salts thereof, pharmaceutical compositions containing such compounds and to their use in therapy.

PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS

-

Page/Page column 87; 88, (2017/04/11)

The present invention relates to compounds of formula (I) and salts thereof, pharmaceutical compositions containing such compounds and to their use in therapy.

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