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1-Boc-3-aminoindazole, with the molecular formula C12H17N3O2, is a chemical compound derived from 3-aminoindazole and features a tert-butoxycarbonyl (Boc) protecting group. 1-Boc-3-aminoindazole is recognized for its stability and reactivity with a range of other compounds, positioning it as a valuable asset in the realm of medicinal chemistry and drug discovery. It serves as a building block in the organic synthesis of various pharmaceuticals and functional materials, and has demonstrated its potential as an intermediate in the synthesis of biologically active molecules, contributing to the development of new drugs.

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  • 1204298-58-7 Structure
  • Basic information

    1. Product Name: 1-Boc-3-aminoindazole
    2. Synonyms: 1-Boc-3-aminoindazole;tert-Butyl 3-aMino-1H-indazole-1-carboxylate
    3. CAS NO:1204298-58-7
    4. Molecular Formula: C12H15N3O2
    5. Molecular Weight: 233.2664
    6. EINECS: 604-604-1
    7. Product Categories: Building Blocks;Indazole
    8. Mol File: 1204298-58-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 395.3±34.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.24±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    8. Solubility: N/A
    9. PKA: 0.97±0.50(Predicted)
    10. CAS DataBase Reference: 1-Boc-3-aminoindazole(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-Boc-3-aminoindazole(1204298-58-7)
    12. EPA Substance Registry System: 1-Boc-3-aminoindazole(1204298-58-7)
  • 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: 1204298-58-7(Hazardous Substances Data)

1204298-58-7 Usage

Uses

Used in Pharmaceutical Industry:
1-Boc-3-aminoindazole is utilized as a key intermediate in the synthesis of biologically active molecules, playing a crucial role in the development of new drugs. Its protective Boc group allows for selective reactions, facilitating the creation of complex molecular structures that are otherwise challenging to achieve.
Used in Medicinal Chemistry Research:
As a building block in organic synthesis, 1-Boc-3-aminoindazole is employed for the preparation of pharmaceuticals and functional materials. Its versatility in reacting with various compounds makes it an indispensable tool for researchers in medicinal chemistry, aiding in the discovery and optimization of drug candidates.
Used in Drug Discovery:
1-Boc-3-aminoindazole is leveraged in drug discovery processes due to its potential to contribute to the creation of novel therapeutic agents. Its presence in the synthesis of biologically active molecules underscores its importance in advancing the field of medicinal chemistry, particularly in the invention of new pharmaceutical entities.

Check Digit Verification of cas no

The CAS Registry Mumber 1204298-58-7 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,0,4,2,9 and 8 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 1204298-58:
(9*1)+(8*2)+(7*0)+(6*4)+(5*2)+(4*9)+(3*8)+(2*5)+(1*8)=137
137 % 10 = 7
So 1204298-58-7 is a valid CAS Registry Number.

1204298-58-7SDS

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 3-aminoindazole-1-carboxylate

1.2 Other means of identification

Product number -
Other names 1-BOC-3-AMINOINDAZOLE

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:1204298-58-7 SDS

1204298-58-7Downstream Products

1204298-58-7Relevant articles and documents

Synthesis of aminopyrazole analogs and their evaluation as CDK inhibitors for cancer therapy

Rana, Sandeep,Sonawane, Yogesh A.,Taylor, Margaret A.,Kizhake, Smitha,Zahid, Muhammad,Natarajan, Amarnath

, p. 3736 - 3740 (2018/10/24)

We synthesized a library of aminopyrazole analogs to systematically explore the hydrophobic pocket adjacent to the hinge region and the solvent exposed region of cyclin dependent kinases. Structure-activity relationship studies identified an optimal substitution for the hydrophobic pocket and analog 24 as a potent and selective CDK2/5 inhibitor.

ARYL- AND HETARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDES AND USE THEREOF

-

Paragraph 0455; 0456; 0457; 0458; 0459, (2017/01/02)

The present application relates to novel aryl- and hetaryl-substituted imidazo[1,2-a]pyridine-3-carboxamides, to processes for preparation thereof, to the use thereof, alone or in combinations, for treatment and/or prophylaxis of diseases, and to the use thereof for production of medicaments for treatment and/or prophylaxis of diseases, especially for treatment and/or prophylaxis of cardiovascular disorders.

Assembly of substituted 3-aminoindazoles from 2-bromobenzonitrile via a CuBr-catalyzed coupling/condensation cascade process

Xu, Lanting,Peng, Yinsheng,Pan, Qiangbiao,Jiang, Yongwen,Ma, Dawei

, p. 3400 - 3404 (2013/06/26)

CuBr-catalyzed coupling reaction of 2-halobenzonitriles with hydrazine carboxylic esters and CuBr/4-hydroxy-l-proline-catalyzed coupling reaction of 2-bromobenzonitriles with N′-arylbenzohydrazides proceed smoothly at 60-90 C to provide substituted 3-aminoindazoles through a cascade coupling/condensation (or coupling/deacylation/condensation) process. A wide range of 3-aminoindazoles with substituents at both the 1-position and the phenyl ring part can be prepared from the corresponding coupling partners.

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