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Methyl 4-(1H-pyrazol-1-yl)benzoate is a chemical compound characterized by the molecular formula C10H9N3O2. It is a derivative of pyrazole and benzoic acid, known for its crystalline solid form and solubility in organic solvents. With a melting point of approximately 101-103°C, this ester compound exhibits unique chemical and physical properties, making it a significant entity in the chemical industry. Its potential biological activities and therapeutic applications are currently under investigation, highlighting its importance in the synthesis of pharmaceuticals and agrochemicals.

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  • 400750-29-0 Structure
  • Basic information

    1. Product Name: Methyl 4-(1H-pyrazol-1-yl)benzoate
    2. Synonyms: Methyl 4-(1H-pyrazol-1-yl)benzoate;Methyl 4-(pyrazol-1-yl)benzoate
    3. CAS NO:400750-29-0
    4. Molecular Formula: C11H10N2O2
    5. Molecular Weight: 202.2093
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 400750-29-0.mol
  • Chemical Properties

    1. Melting Point: 119~121℃
    2. Boiling Point: 319.3±25.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.18±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: -0.36±0.10(Predicted)
    10. CAS DataBase Reference: Methyl 4-(1H-pyrazol-1-yl)benzoate(CAS DataBase Reference)
    11. NIST Chemistry Reference: Methyl 4-(1H-pyrazol-1-yl)benzoate(400750-29-0)
    12. EPA Substance Registry System: Methyl 4-(1H-pyrazol-1-yl)benzoate(400750-29-0)
  • 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: 400750-29-0(Hazardous Substances Data)

400750-29-0 Usage

Uses

Used in Pharmaceutical Synthesis:
Methyl 4-(1H-pyrazol-1-yl)benzoate is used as a key intermediate in the synthesis of various pharmaceuticals for its potential therapeutic applications. Its unique structure allows it to be a valuable component in the development of new drugs.
Used in Agrochemical Production:
In the agrochemical industry, Methyl 4-(1H-pyrazol-1-yl)benzoate is utilized as a precursor in the production of various agrochemicals, contributing to its effectiveness in agricultural applications.
Used in Chemical Research:
Methyl 4-(1H-pyrazol-1-yl)benzoate is also used as a research tool in chemical laboratories for studying its properties and potential reactions, which can lead to the discovery of new chemical entities and applications.
Used in the Chemical Industry:
Due to its unique chemical and physical properties, Methyl 4-(1H-pyrazol-1-yl)benzoate finds wide applications across the chemical industry, playing a crucial role in the synthesis of various compounds and materials.

Check Digit Verification of cas no

The CAS Registry Mumber 400750-29-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,0,0,7,5 and 0 respectively; the second part has 2 digits, 2 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 400750-29:
(8*4)+(7*0)+(6*0)+(5*7)+(4*5)+(3*0)+(2*2)+(1*9)=100
100 % 10 = 0
So 400750-29-0 is a valid CAS Registry Number.

400750-29-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 4-pyrazol-1-ylbenzoate

1.2 Other means of identification

Product number -
Other names Methyl 4-(1H-pyrazol-1-yl)benzoate

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:400750-29-0 SDS

400750-29-0Relevant articles and documents

PYRROLIDINE GLYCOSIDASE INHIBITORS

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Page/Page column 135-136, (2020/03/15)

Compounds of formula (I) wherein A, W, R3b, Z and p have the meaning according to the claims can be employed, inter alia, for the treatment of tauopathies and Alzheimer's disease.

Cu(II)-catalyzed C-N coupling of (hetero)aryl halides and N-Nucleophiles promoted by α-benzoin oxime

Yuan, Chunling,Zhang, Lei,Zhao, Yingdai

, (2019/11/28)

We first reported the new application of a translate metal chelating ligand α-benzoin oxime for improving Cu-catalyzed C-N coupling reactions. The system could catalyse coupling reactions of (hetero)aryl halides with a wide of nucleophiles (e.g., azoles, piperidine, pyrrolidine and amino acids) in moderate to excellent yields. The protocol allows rapid access to the most common scaαolds found in FDA-approved pharmaceuticals.

L -(-) -Quebrachitol as a Ligand for Selective Copper(0)-Catalyzed N-Arylation of Nitrogen-Containing Heterocycles

Zhou, Qifan,Du, Fangyu,Chen, Yuanguang,Fu, Yang,Sun, Wenjiao,Wu, Ying,Chen, Guoliang

, p. 8160 - 8167 (2019/06/28)

l-(-)-Quebrachitol (QCT) has been found as a ligand of copper powder for selective N-arylation of nitrogen-containing heterocycles with aryl halides. Furthermore, another potential catalytic system (copper powder/QCT/t-BuOK) was successfully adapted to unactivated aryl chlorides.

Unique CuI-pyridine based ligands catalytic systems for N-arylation of indoles and other heterocycles

Taywade, Amol,Chavan, Snehal,Ulhe, Avinash,Berad, Baliram

supporting information, p. 1443 - 1453 (2018/06/01)

Two pyridine-based ligands (N-((pyridin-2-yl) methyl) pyridin-2-amine) L1 and (N-((pyridin-2-yl) methylene) pyridin-2-amine) L2 are explored in present work which are inexpensive, effective and environmentally benign in their properties. These have been utilized for C-N cross coupling reaction resulting in N-arylation. The N-arylation of indole, imidazole and triazole have been successfully carried out with different aryl and heteroaryl halides using these ligands.

Pyrrolidin-3-yl-N-methylbenzamides as potent histamine 3 receptor antagonists

Zhou, Dahui,Gross, Jonathan L.,Sze, Jean Y.,Adedoyin, Adedayo B.,Bowlby, Mark,Di, Li,Platt, Brian J.,Zhang, Guoming,Brandon, Nicholas,Comery, Thomas A.,Robichaud, Albert J.

scheme or table, p. 5957 - 5960 (2011/10/18)

On the basis of the previously reported benzimidazole 1,3′- bipyrrolidine benzamides (1), a series of related pyrrolidin-3-yl-N- methylbenzamides were synthesized and evaluated as H3 receptor antagonists. In particular, compound 32 exhibits pot

AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS

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Page/Page column 38, (2009/01/20)

The present invention provides a compound of formula I and the use thereof for the treatment of a central nervous system disorder related to or affected by the histamine-3 receptor

Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists

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Page/Page column 53, (2010/11/25)

This invention provides pyrrolobenzodiazepine pyridine carboxamides selected from those of Formula (1), which act as follicle stimulating hormone receptor antagonists. The invention also provides pharmaceutical compositions and methods of treatment utilizing the compounds of Formulae (1) and (2).

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