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4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzonitrile is a pyrazole derivative with the molecular formula C11H10N4, featuring a benzonitrile group. This chemical compound is utilized as a building block in pharmaceutical research for the synthesis of various biologically active molecules.

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  • 1152945-26-0 Structure
  • Basic information

    1. Product Name: 4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzonitrile
    2. Synonyms: 1152945-26-0;4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzonitrile;4-(5-amino-3-methylpyrazol-1-yl)benzonitrile;SCHEMBL14353427;FT-0729983;F53263
    3. CAS NO:1152945-26-0
    4. Molecular Formula:
    5. Molecular Weight: 198.227
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1152945-26-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzonitrile(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzonitrile(1152945-26-0)
    11. EPA Substance Registry System: 4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzonitrile(1152945-26-0)
  • 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: 1152945-26-0(Hazardous Substances Data)

1152945-26-0 Usage

Uses

Used in Pharmaceutical Research:
4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzonitrile is used as a building block for the synthesis of biologically active molecules, contributing to the development of new drugs and agrochemicals.
Used in Drug Development:
4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzonitrile is utilized in the development of new drugs, thanks to its valuable intermediate properties in the production of pharmaceuticals and other organic compounds.
Used in Agrochemical Development:
4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzonitrile is also used in the development of agrochemicals, indicating its broad application potential in different industries.
Used in Medicinal Chemistry:
The presence of amino and nitrile groups makes this compound instrumental in studying molecular pathways and mechanisms in the field of medicinal chemistry, aiding in understanding complex biological processes.

Check Digit Verification of cas no

The CAS Registry Mumber 1152945-26-0 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,1,5,2,9,4 and 5 respectively; the second part has 2 digits, 2 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1152945-26:
(9*1)+(8*1)+(7*5)+(6*2)+(5*9)+(4*4)+(3*5)+(2*2)+(1*6)=150
150 % 10 = 0
So 1152945-26-0 is a valid CAS Registry Number.

1152945-26-0SDS

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-(5-amino-3-methylpyrazol-1-yl)benzonitrile

1.2 Other means of identification

Product number -
Other names -

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:1152945-26-0 SDS

1152945-26-0Relevant articles and documents

Multicomponent Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Novel Spiro-Tethered Pyrazolo[3,4-b]quinoline Hybrid Heterocycles

Sumesh, Remani Vasudevan,Muthu, Muthumani,Almansour, Abdulrahman I.,Suresh Kumar, Raju,Arumugam, Natarajan,Athimoolam,Jeya Yasmi Prabha, E. Arockia,Kumar, Raju Ranjith

, p. 262 - 270 (2016)

The stereoselective syntheses of a library of novel spiro-tethered pyrazolo[3,4-b]quinoline-pyrrolidine/pyrrolothiazole/indolizine-oxindole/acenaphthene hybrid heterocycles have been achieved through the 1,3-dipolar cycloaddition of azomethine ylides generated in situ from α-amino acids and 1,2-diketones to dipolarophiles derived from pyrazolo[3,4-b]quinoline derivatives.

Microwave synthesis of 1-aryl-1H-pyrazole-5-amines

Everson, Nikalet,Yniguez, Kenya,Loop, Lauren,Lazaro, Horacio,Belanger, Briana,Koch, Grant,Bach, Jordan,Manjunath, Aashrita,Schioldager, Ryan,Law, Jarvis,Grabenauer, Megan,Eagon, Scott

supporting information, p. 72 - 74 (2018/11/30)

A microwave-mediated synthesis of 1H-pyrazole-5-amines utilizing 1 M HCl at 150 °C was developed in order to provide products in a matter of minutes with minimal purification. Most reactions are complete in only 10 min and can be isolated via a simple filtration without the need for further purification by column chromatography or recrystallization. This method tolerates a range of functional groups and can be performed on milligram to gram scales.

NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR

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Page/Page column 14, (2013/02/28)

The present invention relates to compounds useful in therapy, to compositions comprising said compounds, and to methods of treating diseases comprising administration of said compounds. The compounds referred to are positive allosteric modulators (PAMs) of the nicotinic acetylcholine alpha7 receptor.

PYRAZOLOPYRIDINES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM

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Page/Page column 31-32, (2013/03/26)

The present invention relates to compounds useful in therapy, to compositions comprising said compounds, and to methods of treating diseases comprising administration of said com- pounds. The compounds referred to are positive allosteric modulators (PAMs) of the nicotinic acetylcholine α7 receptor.

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