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ETHYL 5-AMINO-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE is a chemical compound characterized by the molecular formula C11H18N4O2. It is a pyrazole derivative featuring a carboxylate functional group, which positions it as a versatile component in organic synthesis and pharmaceutical research. ETHYL 5-AMINO-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE is recognized for its potential pharmacological properties and is frequently employed in the development of novel drugs. Its distinctive structural attributes and functional groups render it an advantageous building block for the synthesis of a range of bioactive compounds and pharmaceutical ingredients. ETHYL 5-AMINO-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE has garnered attention in medicinal chemistry for its prospective applications in addressing a variety of diseases and medical conditions.

112779-14-3

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112779-14-3 Usage

Uses

Used in Pharmaceutical Research and Development:
ETHYL 5-AMINO-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE is used as a key intermediate in the synthesis of new drugs for various therapeutic areas. Its unique structure allows for the creation of bioactive molecules with potential applications in treating different diseases.
Used in Organic Synthesis:
In the field of organic synthesis, ETHYL 5-AMINO-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE is utilized as a building block for the creation of complex organic molecules. Its carboxylate functional group facilitates various chemical reactions, making it a valuable component in the synthesis of pharmaceuticals and other organic compounds.
Used in Medicinal Chemistry:
ETHYL 5-AMINO-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE is employed as a starting material in medicinal chemistry for the design and development of new pharmaceutical agents. Its potential pharmacological properties and structural features make it a promising candidate for the treatment of various medical conditions.
Used in Drug Discovery:
In the drug discovery process, ETHYL 5-AMINO-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE is used as a chemical probe to explore its pharmacological activity. Its interaction with biological targets can provide insights into the development of new therapeutic agents.
Used in Chemical Libraries:
ETHYL 5-AMINO-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE is incorporated into chemical libraries for high-throughput screening. Its presence in these libraries allows researchers to evaluate its potential as a lead compound for drug development.
Used in Bioactive Compounds Synthesis:
In the synthesis of bioactive compounds, ETHYL 5-AMINO-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE is used as a precursor to generate molecules with biological activity. Its functional groups can be modified to enhance the compound's interaction with biological targets, leading to the development of effective therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 112779-14-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,7,7 and 9 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 112779-14:
(8*1)+(7*1)+(6*2)+(5*7)+(4*7)+(3*9)+(2*1)+(1*4)=123
123 % 10 = 3
So 112779-14-3 is a valid CAS Registry Number.

112779-14-3SDS

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 ETHYL 5-AMINO-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE

1.2 Other means of identification

Product number -
Other names 5-amino-1-tert-butyl-1H-pyrazole-4-carboxylic acid ethyl 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:112779-14-3 SDS

112779-14-3Relevant academic research and scientific papers

1-tert-butyl-5-amino-4-pyrazol-1, 3, 4-oxadiazole thioether compounds and application thereof

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Paragraph 0017-0019, (2020/09/21)

The invention discloses 1-tert-butyl-5-amino-4-pyrazol-1, 3, 4-oxadiazole thioether compounds. The compounds are characterized in that the structural formula of the 1-tert-butyl-5-amino-4-pyrazol-1, 3, 4-oxadiazole thioether compounds is shown in the specification, and R1 in the formula is an alkyl group, a phenyl group or a substituted phenyl group. On the basis of the structure of the 1-phenyl-5-amino-4-pyrazole bisoxadiazole thioether, a series of 1-tert-butyl-5-amino-4-pyrazolyl-1, 3, 4-oxadiazole oxadiazole thioether compounds are synthesized by taking pyrazol as a raw material and replacing the phenyl group on the 1-position of a pyrazol ring with tert-butyl, and the compounds have good treatment, protection and passivation activity on virus diseases caused by tobacco mosaic virus (TMV) through in-vivo experiments of the compounds. And compared with other compounds of the same kind, the compounds of the invention have better protective activity.

A Michael Equilibration Model to Control Site Selectivity in the Condensation toward Aminopyrazoles

Fandrick, Daniel R.,Sanyal, Sanjit,Kaloko, Joseph,Mulder, Jason A.,Wang, Yuwen,Wu, Ling,Lee, Heewon,Roschangar, Frank,Hoffmann, Matthias,Senanayake, Chris H.

supporting information, p. 2964 - 2967 (2015/06/30)

A Michael equilibration model is presented to provide for site-selective pyrazole condensations between alkoxyacrylonitriles and hydrazines. Both pyrazole isomers were accessed with high selectivity by employment of kinetically or thermodynamically controlled conditions. Substrate scope and identification of Michael intermediates, as well as competitive pathways, support the presented mechanistic proposal. Sandmeyer derivatization provided site-selective access to fully substituted pyrazoles.

HETEROCYCLIC COMPOUND

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Paragraph 0181; 0347, (2014/06/24)

Provided is a heterocyclic compound having an RORγt inhibitory activity. A compound represented by the formula (I): wherein ring A is an optionally substituted cyclic group, Q is a bond, optionally substituted C1-10 alkylene, optionally substituted C2-10 alkenylene, or optionally substituted C2-10 alkynylene, R1 is a substituent, ring B is a thiazole ring, an isothiazole ring or a dihydrothiazole ring, each of which is optionally further substituted by a substituent in addition to R2, and R2 is an optionally substituted cyclyl-carbonyl-C1-6 alkyl group, an optionally substituted aminocarbonyl-C1-6 alkyl group, an optionally substituted cyclyl-C1-6 alkyl group, an optionally substituted cyclyl-C1-6 alkylamino-carbonyl group, an optionally substituted aminocarbonyl-C2-6 alkenyl group, an optionally substituted C1-6 alkylcarbonylamino-C1-6 alkyl group, an optionally substituted cyclyl-aminocarbonyl group, an optionally substituted cyclyl-carbonyl group or an optionally substituted non-aromatic heterocyclic group, or a salt thereof.

Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase

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Page/Page column 19, (2008/06/13)

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, type II diabetes mellitus and metabolic syndrome.

Synthesis and herbicidal activities of a series of di(aminopyrazoly) ketone derivatives

Li, Jun-Fei,Zhu, You-Quan,Wang, Xin,Yang, Hua-Zheng

, p. 749 - 755 (2008/03/29)

(Chemical Equation Presented) In order to obtain new lead compounds with high herbicidal activity, a series of 5-amino pyrazole derivatives were designed and synthesized using a series of relational synthons. Their structures were determined by IR, 1H NMR, and elemental analyses. These compounds were screened for herbicidal activities against rape and barnyard grass. Their structure-activity relationships are discussed.

Synthesis of 1-(1,1-Dimethylethyl)-1H-pyrazole-4-carboxylate Ester Derivatives

Beck, James R.,Lynch, Michael P.

, p. 693 - 695 (2007/10/02)

Attempts to prepare ethyl 5-cyano-1-(1,1-dimethylethyl)-1H-pyrazole-4-carboxylate (7) by the reaction of the corresponding 5-chloro derivative 1b with cyanide ion were unsuccessful.The chloro ester was synthesized from the corresponding amino ester 1a utilizing nonaqueous diazotization with nitrosyl chloride.An alternate process was developed which allowed the preparation of 7 from the corresponding 5-methyl ester 3 in four steps.The structure of N-methylamide 8 synthesized from 7 was confirmed by X-ray diffraction analysis.

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