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4-Cyanopiperazine-1-carboxylic acid tert-butyl ester, commonly referred to as 4-cyanopiperazine, is a chemical compound that serves as a crucial intermediate in the pharmaceutical industry. It is a tert-butyl ester derivative of 4-cyanopiperazine-1-carboxylic acid, characterized by its versatile reactivity and capacity for various chemical transformations. 4-Cyanopiperazine-1-carboxylic acid tert-butyl ester is a valuable building block in drug development due to its molecular structure and properties, which allow for its incorporation into a broad spectrum of pharmaceutical compounds, playing a pivotal role in the creation and production of medicines for diverse medical conditions.

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  • 113534-02-4 Structure
  • Basic information

    1. Product Name: 4-Cyanopiperazine-1-carboxylic acid tert-butyl ester
    2. Synonyms: 4-Cyanopiperazine-1-carboxylic acid tert-butyl ester;1-PIPERAZINECARBOXYLIC ACID, 4-CYANO-,1,1-DIMETHYLETHYL ESTER
    3. CAS NO:113534-02-4
    4. Molecular Formula: C10H17N3O2
    5. Molecular Weight: 211.26088
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 113534-02-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 353.989 °C at 760 mmHg
    3. Flash Point: 167.887 °C
    4. Appearance: /
    5. Density: 1.13
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. PKA: -0.90±0.70(Predicted)
    10. CAS DataBase Reference: 4-Cyanopiperazine-1-carboxylic acid tert-butyl ester(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-Cyanopiperazine-1-carboxylic acid tert-butyl ester(113534-02-4)
    12. EPA Substance Registry System: 4-Cyanopiperazine-1-carboxylic acid tert-butyl ester(113534-02-4)
  • 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: 113534-02-4(Hazardous Substances Data)

113534-02-4 Usage

Uses

Used in Pharmaceutical Industry:
4-Cyanopiperazine-1-carboxylic acid tert-butyl ester is used as a key intermediate in the synthesis of various pharmaceutical products for its ability to undergo multiple chemical transformations, contributing to the development of new drugs.
Used in Drug Development:
In the field of drug development, 4-Cyanopiperazine-1-carboxylic acid tert-butyl ester is utilized as a building block for the creation of pharmaceutical compounds, due to its compatibility with a wide range of molecular structures, enhancing the potential for new medicinal formulations.
Used in Medicinal Chemistry:
4-Cyanopiperazine-1-carboxylic acid tert-butyl ester is employed as a versatile component in medicinal chemistry for its potential to be incorporated into diverse pharmaceutical compounds, facilitating the advancement of treatments for various medical conditions.
Used in Chemical Synthesis:
As a chemical synthesis component, 4-Cyanopiperazine-1-carboxylic acid tert-butyl ester is used for its reactivity in various chemical processes, enabling the production of a multitude of pharmaceutically relevant compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 113534-02-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,3,5,3 and 4 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 113534-02:
(8*1)+(7*1)+(6*3)+(5*5)+(4*3)+(3*4)+(2*0)+(1*2)=84
84 % 10 = 4
So 113534-02-4 is a valid CAS Registry Number.

113534-02-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Cyanopiperazine-1-Carboxylic Acid Tert-Butyl Ester

1.2 Other means of identification

Product number -
Other names tert-butyl 4-cyanopiperazine-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:113534-02-4 SDS

113534-02-4Downstream Products

113534-02-4Relevant articles and documents

N-Cyanation of Primary and Secondary Amines with Cyanobenzio-doxolone (CBX) Reagent

Chen, Zimin,Yuan, Weiming

supporting information, p. 14836 - 14840 (2021/09/30)

An efficient electrophilic N-cyanation of amines with a stable and less-toxic cyanobenziodoxole reagent towards the synthesis of cyanamides is disclosed. This synthetically practicable strategy allows the construction of a wide variety of cyanamides under very mild and simple conditions with a broad functional group compatibility, and showcases a huge potential in late-stage modification of complex molecules.

Design, synthesis and molecular docking studies of some 1-(5-(2-fluoro-5-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-3-yl)piperazine derivatives as potential anti-inflammatory agents

Alshammari, Mohammed B.,Joy, Muthipeedika Nibin,Kulkarni, B.,Manjunatha, K.,Pakkath, Ranjith,Prashantha, C. N.,Sajith, Ayyiliath Meleveetil

, (2021/12/09)

We herein report the facile synthesis of a series of 3,5-substituted-1,2,4-oxadiazole derivatives in good to excellent yields. The anti-inflammatory potential of the newly synthesized compounds was evaluated by anti-denaturation assay using diclofenac sodium as the reference standard. Some of the compounds exhibited profound activity profile when compared to the standard drug. The molecular docking and SAR studies were carried out at the later stage for gaining more insights about the promising activity profile of the synthesized molecules. Graphical abstract: [Figure not available: see fulltext.]

The optimization of xanthine derivatives leading to HBK001 hydrochloride as a potent dual ligand targeting DPP-IV and GPR119

Li, Gang,Meng, Bingxu,Yuan, Baokun,Huan, Yi,Zhou, Tian,Jiang, Qian,Lei, Lei,Sheng, Li,Wang, Weiping,Gong, Ningbo,Lu, Yang,Ma, Chen,Li, Yan,Shen, Zhufang,Huang, Haihong

, (2020/01/09)

A series of xanthine compounds derived from the previous hit 20i with modification on the terminal side chain was discovered through ring formation strategy. Systematic optimization of the compounds with rigid heterocycles in the hydrophobic side chain led to the new lead compound HBK001 (21h) with the improved DPP-IV inhibition and moderate GPR119 agonism activity in vitro. As a continuing work to further study the PK and PD profiles, 21h and its hydrochloride (22) were synthesized on grams scale and evaluated on the ADME/T and oral glucose tolerance test (OGTT) in ICR mice. Compound 22 showed the improved bioavailability and blood glucose-lowering effect in vivo compared to its free base 21h probably attributed to its improved solubility and permeability. The preliminary toxicity studies on compound 22 exhibited that the result of mini-Ames was negative and the preliminary acute toxicity LD50 in mice was above 1.5 g/kg, while it showed moderate inhibition on hERG channel with IC50 4.9 μM maybe due to its high lipophilicity. These findings will be useful for the future drug design for more potent and safer dual ligand targeting DPP-IV and GPR119 for the treatment of diabetes.

MONOCYCLIC B-LACTAM COMPOUND FOR TREATING BACTERIAL INFECTION

-

Paragraph 0093, (2020/12/16)

Disclosed are a class of new monocyclic β-lactam compounds, an isomer thereof or pharmaceutically acceptable salts thereof, and a pharmaceutical composition comprising the compounds, and the use of same in preparing drugs for treating diseases associated

PHENYL NICOTINIC ACID COMPOUND AND PEST CONTROLLING AGENT

-

Paragraph 0125; 0126, (2019/07/20)

PROBLEM TO BE SOLVED: To provide a specific phenyl nicotinic acid compound capable of being used as a pest controlling agent, an insecticidal or acaricidal and ectoparasite controlling agent, or expellent. SOLUTION: There is provided a compound represente

Benzoxazinone derivatives and their use as antibacterial agents

-

Paragraph 0300-0302, (2018/09/12)

The invention discloses benzoxazinone derivatives, a synthesis method and applications thereof. The derivatives can be used as an antibacterial agent for treating infectious diseases caused by bacteria, especially tuberculosis (TB) caused by mycobacterium. Specifically, the invention relates to compounds represented by the formula (I), pharmaceutically acceptable salts thereof, and a pharmaceutical composition comprising the provided compounds; wherein the R1 to R4 are defined in the description. The invention aim to prepare novel compounds capable of inhibiting the mycobacterium activity, the compounds can be used as a potential novel drug for treating infectious diseases caused by bacteria, moreover, the compounds can be used to treat or prevent tuberculosis (TB) caused by mycobacterium, at the same time the problems related with drug resistance can be solved, and the drug metabolism property can be improved on the basis that the mycobacterium tuberculosis resistant activity is not influenced.

Synthesis of Cyanamides from Cyanogen Bromide under Mild Conditions through N-Cyanation of Allylic Tertiary Amines

Liang, Honggang,Bao, Lingxiang,Du, Yao,Zhang, Yiying,Pang, Siping,Sun, Chenghui

supporting information, p. 2675 - 2679 (2017/10/06)

Cyanamides were selectively formed through a one-step nucleophilic substitution reaction of allylic tertiary amines with cyanogen bromide. Because of the mild reaction conditions and good yields of the reaction, as well as the commercial availability of the starting materials, this new method represents a valuable tool for the synthesis of cyan-amides through an N-deallylation reaction and an N-cyanation reaction in one pot.

2-Substituted-phenyl-oxy-5-methylsulfonyl piperazine acidamide analogue and preparation method and application thereof

-

Paragraph 0318; 0319; 0320, (2016/10/08)

The invention discloses 2-substituted-phenyl-oxy-5-methylsulfonyl piperazine acidamide analogue and a preparation method and application thereof, and particularly, relates to 2-substituted-phenyl-oxy-5-methylsulfonyl piperazine acidamide analogue with a formula (I) compound and a preparation method and application thereof, wherein substitutions in the formula (I) compound are defined as in the description. This serial compound can inhibit the activity of glycine transport protein-1 (GlyT1), is useful in treating related diseases in central nerve and psychological fields, for example, schizophrenia (including positive symptoms, negative symptoms and cognitive symptoms), senile dementia, Parkinson's disease and other related psychological diseases, is widely applicable to the drugs for preventing and treating central nerve and psychological diseases, and is expected to be developed into new-generation GlyT1 inhibitors.

Receptor-Type Kinase Modulators and Methods of Use

-

Paragraph 0556, (2016/06/06)

The present invention provides compounds for modulating receptor kinase activity, particularly ephrin and EGFR, and methods of treating diseases mediated by receptor kinase activity utilizing the compounds and pharmaceutical compositions thereof. Diseases

NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME

-

Paragraph 620; 621; 622, (2014/11/13)

The present invention provides a triazolone derivative or its pharmaceutically acceptable salt, a process for the preparation thereof, and a pharmaceutical composition comprising the same. The triazolone derivative or its pharmaceutically acceptable salt can effectively activate GPR119; and therefore be usefully applied for preventing or treating diabetes mellitus.

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