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3H-Pyrazol-3-one, 1,2-dihydro-, also known as 1,2-dihydropyrazol-3-one, is a chemical compound belonging to the pyrazoles class. It is a white to light yellow solid with a molecular formula of C3H4N2O and a molecular weight of 84.08 g/mol. This versatile and reactive intermediate is widely used in the synthesis of pharmaceuticals, agrochemicals, and various organic compounds, making it a valuable asset in the chemical industry. Its potential applications in medicinal chemistry and drug development further highlight its significance.

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  • 137-45-1 Structure
  • Basic information

    1. Product Name: 3H-PYRAZOL-3-ONE, 1,2-DIHYDRO-
    2. Synonyms: 3H-PYRAZOL-3-ONE, 1,2-DIHYDRO-;1,2-dihydropyrazol-3-one;1,2-Dihydro-3H-pyrazol-3-one;1,2-dihydropyrazol-3-on;1H-Pyrazol-3-one;3-Hydroxypyrazole;Pyrazol-5-ol;Pyrazol-3-ol
    3. CAS NO:137-45-1
    4. Molecular Formula: C3H4N2O
    5. Molecular Weight: 84.07666
    6. EINECS: 257-808-3
    7. Product Categories: N/A
    8. Mol File: 137-45-1.mol
  • Chemical Properties

    1. Melting Point: 160-162 °C
    2. Boiling Point: 326.1 °C at 760 mmHg
    3. Flash Point: 151 °C
    4. Appearance: /
    5. Density: 1.191 g/cm3
    6. Vapor Pressure: 0.000116mmHg at 25°C
    7. Refractive Index: 1.486
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 9.00±0.70(Predicted)
    11. CAS DataBase Reference: 3H-PYRAZOL-3-ONE, 1,2-DIHYDRO-(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3H-PYRAZOL-3-ONE, 1,2-DIHYDRO-(137-45-1)
    13. EPA Substance Registry System: 3H-PYRAZOL-3-ONE, 1,2-DIHYDRO-(137-45-1)
  • 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: 137-45-1(Hazardous Substances Data)

137-45-1 Usage

Uses

Used in Pharmaceutical Industry:
3H-Pyrazol-3-one, 1,2-dihydrois used as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure and reactivity allow for the development of new drugs with improved therapeutic properties and reduced side effects.
Used in Agrochemical Industry:
In the agrochemical industry, 3H-Pyrazol-3-one, 1,2-dihydroserves as a building block for the creation of novel agrochemicals. Its incorporation into these compounds can lead to enhanced crop protection and increased agricultural productivity.
Used in Organic Synthesis:
3H-Pyrazol-3-one, 1,2-dihydrois utilized as a versatile intermediate in organic synthesis, enabling the production of a wide range of organic compounds. Its unique properties make it suitable for various chemical reactions, contributing to the development of new materials and products.
Used in Medicinal Chemistry and Drug Development:
3H-Pyrazol-3-one, 1,2-dihydroplays a crucial role in medicinal chemistry and drug development. Its potential applications in this field include the design and synthesis of new therapeutic agents, as well as the modification of existing drugs to improve their efficacy and safety.

Check Digit Verification of cas no

The CAS Registry Mumber 137-45-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,3 and 7 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 137-45:
(5*1)+(4*3)+(3*7)+(2*4)+(1*5)=51
51 % 10 = 1
So 137-45-1 is a valid CAS Registry Number.
InChI:InChI=1/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)

137-45-1SDS

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 1H-Pyrazol-3(2H)-one

1.2 Other means of identification

Product number -
Other names 3H-PYRAZOL-3-ONE, 1,2-DIHYDRO-

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:137-45-1 SDS

137-45-1Relevant articles and documents

COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION

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, (2022/02/05)

Heterocyclic compounds with a novel pyrazole thioamide-based NNSN structural motif, having highly effective zinc- or copper-activated toxicity against microbial infections at micromolar or nanomolar minimum inhibitory concentrations (MIC), and methods of making and using same.

Preparation method of pyraclostrobin intermediate

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Paragraph 0050-0055, (2021/09/15)

The invention discloses a preparation method of pyraclostrobin intermediate 3 - hydroxyl - 1H - pyrazole and 1 - (4 - chlorophenyl) -3 - pyrazol, which comprises: synthesizing 3 - hydroxyl - 1H - pyrazole -4 - carboxylic acid ethyl ester by cyclization re

Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies

Barlaam, Bernard,Casella, Robert,Cidado, Justin,Cook, Calum,De Savi, Chris,Dishington, Allan,Donald, Craig S.,Drew, Lisa,Ferguson, Andrew D.,Ferguson, Douglas,Glossop, Steve,Grebe, Tyler,Gu, Chungang,Hande, Sudhir,Hawkins, Janet,Hird, Alexander W.,Holmes, Jane,Horstick, James,Jiang, Yun,Lamb, Michelle L.,McGuire, Thomas M.,Moore, Jane E.,O'Connell, Nichole,Pike, Andy,Pike, Kurt G.,Proia, Theresa,Roberts, Bryan,San Martin, Maryann,Sarkar, Ujjal,Shao, Wenlin,Stead, Darren,Sumner, Neil,Thakur, Kumar,Vasbinder, Melissa M.,Varnes, Jeffrey G.,Wang, Jianyan,Wang, Lei,Wu, Dedong,Wu, Liangwei,Yang, Bin,Yao, Tieguang

supporting information, p. 15564 - 15590 (2021/01/09)

A CDK9 inhibitor having short target engagement would enable a reduction of Mcl-1 activity, resulting in apoptosis in cancer cells dependent on Mcl-1 for survival. We report the optimization of a series of amidopyridines (from compound 2), focusing on properties suitable for achieving short target engagement after intravenous administration. By increasing potency and human metabolic clearance, we identified compound 24, a potent and selective CDK9 inhibitor with suitable predicted human pharmacokinetic properties to deliver transient inhibition of CDK9. Furthermore, the solubility of 24 was considered adequate to allow i.v. formulation at the anticipated effective dose. Short-term treatment with compound 24 led to a rapid dose- and time-dependent decrease of pSer2-RNAP2 and Mcl-1, resulting in cell apoptosis in multiple hematological cancer cell lines. Intermittent dosing of compound 24 demonstrated efficacy in xenograft models derived from multiple hematological tumors. Compound 24 is currently in clinical trials for the treatment of hematological malignancies.

Nickel-Catalyzed C-O Cross-Coupling Reaction at Low Catalytic Loading with Weak Base Participation

Wu, Fan,Zhu, Kejie,Wu, Guolin,Gao, Yu,Chen, Haijun

supporting information, p. 519 - 522 (2020/01/30)

Herein, we report a nickel-catalyzed crossing-coupling reaction for the synthesis of diaryl ethers. The desired products are achieved by coupling heterocyclic alcohols with aryl bromides bearing strong electron withdrawing nitro group under the catalyst system of NiCl2(PPh3)2 and weak base KHCO3. This mild reaction exhibits a broad functional group tolerance. Compound 4 as an important intermediate is suitable for further structural modification of MALT1 inhibitor MI-2.

Design, synthesis and biological evaluation of ring-fused pyrazoloamino pyridine/pyrimidine derivatives as potential FAK inhibitors

Xie, Hongming,Lin, Xinglong,Zhang, Yingjun,Tan, Fuxing,Chi, Bo,Peng, Zhihong,Dong, Wanrong,An, Delie

supporting information, (2020/10/06)

We report herein the synthesis of novel ring-fused pyrazoloamino pyridine/pyrimidine derivatives as potential FAK inhibitors and the evaluation of pharmaceutical activity against five cancer cell lines (MDA-MB-231, BXPC-3, NCI-H1975, DU145 and 786O). Generally, the majority of compounds displayed strong anti-FAK enzymatic potencies (IC50 1 nM) and could effectively inhibit several class of cancer cell lines within the concentration of 3 μM in comparison with GSK2256098 as a reference. Among them, compound 4o is considered to be the most effective due to high sensitivity in antiproliferation. In culture, 4o could not only inhibit FAK Y397 phosphorylation in MDA-MB-231 cell line, but also trigger apoptosis in a dose-dependent manner. Furthermore, computational docking analysis also suggested that 4o and TAE-226 displayed the similar interaction with FAK kinase domain.

COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY

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Page/Page column 102-103, (2019/09/18)

This disclosure features chemical entities (e.g., a compound or a pharmaceutically acceptable salt and/or hydrate and/or prodrug of the compound) that modulate (e.g., agonize) the apelin receptor (also referred to herein as the APJ receptor; gene symbol "APLNR"). This disclosure also features compositions containing the same as well as other methods of using and making the same. The chemical entities are useful, e.g., for treating a subject (e.g., a human) having a disease, disorder, or condition in which a decrease in APJ receptor activity (e.g., repressed or impaired APJ receptor signaling; e.g., repressed or impaired apelin-APJ receptor signaling) or downregulation of endogenous apelin contributes to the pathology and/or symptoms and/or progression of the disease, disorder, or condition. Non-limiting examples of such diseases, disorders, or conditions include: (i) cardiovascular disease; (ii) metabolic disorders; (iii) diseases, disorders, and conditions associated with vascular pathology; and (iv) organ failure; (v) diseases, disorders, and conditions associated with infections (e.g., microbial infections); and (vi) diseases, disorders, or conditions that are sequela or comorbid with any of the foregoing or any disclosed herein. More particular non-limiting examples of such diseases, disorders, or conditions include pulmonary hypertension (e.g., PAH); heart failure; type II diabetes; renal failure; sepsis; and systemic hypertension.

Preparation method of 1-(4-chlorophenyl)-3-hydroxy-1-h-pyrazole

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Page/Page column 5-11, (2018/11/03)

The invention discloses a preparation method for 1-(4-chlorophenyl)-3-hydroxy-1-h-pyrazole. Hydrazine hydrate and acrylic ester are taken as raw materials to synthesize pyrazol-3-ketone, the pyrazol-3-ketone is oxidized into hydroxypyrazole, and finally,

Focal adhesion kinase inhibitor and use

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Paragraph 0455; 0457; 0458, (2019/01/08)

The invention belongs to the field of medicines, relates to a focal adhesion kinase inhibitor and use, in particular relates to a novel focal adhesion kinase inhibitor compound, or stereoisomers, geometric isomers, tautomers, oxynitrides, hydrates, solvates, metabolites, pharmaceutically acceptable salts or prodrugs thereof, further relates to the use of the compound and pharmaceutical compositions as medicines, in particular the use of the compound and pharmaceutical compositions in manufacture of medicines for treatment or prevention of cancer, pulmonary hypertension, and pathological angiogenesis-related diseases.

PYRAZOLE DERIVATIVES

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Paragraph 54, (2017/08/01)

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 or prevention of mGluR5 mediated disorders, such as acute and/or chronic neurological disorders, cognitive disorders and memory deficits, as well as acute and chronic pain.

Chemical Compounds

-

Paragraph 0634, (2017/01/19)

Provided are a series of novel pyridine or pyrimidine derivatives which inhibit CDK9 and may be useful for the treatment of hyperproliferative diseases. In particular the compounds are of use in the treatment of proliferative disease such as cancer including hematological malignancies such as acute myeloid leukemia, multiple myeloma, chronic lymphocytic leukemia, diffuse large B cell lymphoma, Burkitt's lymphoma, follicular lymphoma and solid tumors such as breast cancer, lung cancer, neuroblastoma and colon cancer.

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