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1-Isopropylpyrazole, an organic compound with the molecular formula C6H8N2, is a pyrazole derivative that plays a significant role in pharmaceutical research and organic synthesis. As a versatile chemical, it is utilized as a building block in the synthesis of pharmaceuticals and agricultural chemicals, and it also serves as a ligand in coordination chemistry and in the development of new materials. Its potential anti-inflammatory and anti-cancer properties, coupled with its adaptable chemistry, make 1-Isopropylpyrazole a valuable compound in both scientific research and industrial applications.

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  • 18952-87-9 Structure
  • Basic information

    1. Product Name: 1-Isopropylpyrazole
    2. Synonyms: 1-isopropylpyrazole;1-(1-Methylethyl)-1H-pyrazole;1-Isopropyl-1H-pyrazole;2-isopropyl-1H-Pyrazole;1-propan-2-ylpyrazole;1-(propan-2-yl)-1H-pyrazole
    3. CAS NO:18952-87-9
    4. Molecular Formula: C6H10N2
    5. Molecular Weight: 110.16
    6. EINECS: N/A
    7. Product Categories: API intermediates
    8. Mol File: 18952-87-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 143 °C
    3. Flash Point: 43 °C
    4. Appearance: /
    5. Density: 0.96
    6. Vapor Pressure: 6.833mmHg at 25°C
    7. Refractive Index: 1.4620 to 1.4660
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 2.29±0.10(Predicted)
    11. CAS DataBase Reference: 1-Isopropylpyrazole(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-Isopropylpyrazole(18952-87-9)
    13. EPA Substance Registry System: 1-Isopropylpyrazole(18952-87-9)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. RIDADR: UN 1993 3/PG III
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: 3
    8. PackingGroup: III
    9. Hazardous Substances Data: 18952-87-9(Hazardous Substances Data)

18952-87-9 Usage

Uses

Used in Pharmaceutical Research:
1-Isopropylpyrazole is used as a building block for the synthesis of pharmaceuticals, contributing to the development of new drugs with potential therapeutic applications.
Used in Agricultural Chemicals:
1-Isopropylpyrazole is used as a precursor in the synthesis of agricultural chemicals, aiding in the creation of effective compounds for pest control and crop protection.
Used in Coordination Chemistry:
1-Isopropylpyrazole is used as a ligand in coordination chemistry, facilitating the formation of coordination compounds with potential applications in catalysis, materials science, and medicinal chemistry.
Used in Material Development:
1-Isopropylpyrazole is used in the development of new materials, leveraging its versatile chemistry to create innovative substances with unique properties and potential applications in various industries.
Used in Anti-inflammatory Applications:
1-Isopropylpyrazole is used as an anti-inflammatory agent, potentially mitigating inflammation and related symptoms in various conditions.
Used in Anti-cancer Applications:
1-Isopropylpyrazole is used as an anti-cancer agent, showing promise in the inhibition of tumor growth and progression, and potentially enhancing the efficacy of conventional chemotherapeutic drugs.

Check Digit Verification of cas no

The CAS Registry Mumber 18952-87-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,8,9,5 and 2 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 18952-87:
(7*1)+(6*8)+(5*9)+(4*5)+(3*2)+(2*8)+(1*7)=149
149 % 10 = 9
So 18952-87-9 is a valid CAS Registry Number.
InChI:InChI=1/C6H10N2/c1-6(2)8-5-3-4-7-8/h3-6H,1-2H3

18952-87-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-propan-2-ylpyrazole

1.2 Other means of identification

Product number -
Other names 1-isopropyl-1H-pyrazole

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:18952-87-9 SDS

18952-87-9Relevant articles and documents

Pyrazole N-alkylation method

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Paragraph 0023; 0024, (2018/12/14)

The invention provides a pyrazole N-alkylation method. Pyrazole or pyrazole derivatives and alkyl halogenated hydrocarbons react in a solvent under the existence of quaternary ammonium salt catalysts;N-alkyl substituted pyrazole is obtained. The method provided by the invention has the advantages that the operation is simple; the cost is low; the anhydrous oxygen-free environment is not needed; heating is not needed; the yield is high; the amplified industrialized production can be easily realized.

NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM

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Page/Page column 132; 165, (2015/07/15)

Compounds of formula (I): wherein R1, R2, R3, R4, R5, R6, R7, R12, X, A and n are as defined in the description.

Synthesis of heterocyclic compounds from 4-formylpyrazoles

Mortikov,Rodinovskaya,Fedorov,Shestopalov,Belyakov

, p. 443 - 456 (2015/02/02)

Formylation of pyrazole and 2,5-dimethylpyrazole gave a number of pyrazole-containing aldehydes, which can be used to obtain chromenes, tetrahydrochromenes, 1,4-dihydropyrano[2,3-c]pyrazoles, pyrano[3,2-c]chromenes, thiochromeno[4,3-b]pyrans, pyrano[3,2-c

Discovery of 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxyphenyl]-3-(2, 4-difluorophenyl)urea (Nelotanserin) and Related 5-Hydroxytryptamine 2A Inverse Agonists for the Treatment of Insomnia

Teegarden, Bradley R.,Li, Hongmei,Jayakumar, Honnappa,Strah-Pleynet, Sonja,Dosa, Peter I.,Selaya, Susan D.,Kato, Naomi,Elwell, Katie H.,Davidson, Jarrod,Cheng, Karen,Saldana, Hazel,Frazer, John M.,Whelan, Kevin,Foster, Jonathan,Espitia, Stephan,Webb, Robert R.,Beeley, Nigel R. A.,Thomsen, William,Morairty, Stephen R.,Kilduff, Thomas S.,Al-Shamma, Hussien A.

experimental part, p. 1923 - 1936 (2010/08/05)

Insomnia affects a growing portion of the adult population in the U.S. Most current therapeutic approaches to insomnia primarily address sleep onset latency. Through the 5-hydroxytryptamine2A (5-HT2A) receptor, serotonin (5-HT) plays a role in the regulation of sleep architecture, and antagonists/ inverse-agonists of 5-HT2A have been shown to enhance slow wave sleep (SWS). We describe here a series of 5-HT2A inverse-agonists that when dosed in rats, both consolidate the stages of NREM sleep, resulting in fewer awakenings, and increase a physiological measure of sleep intensity. These studies resulted in the discovery of 1-[3-(4-bromo-2- methyl-2i/-pyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea (Nelotanserin), a potent inverse-agonist of 5-HT2A that was advanced into clinical trials for the treatment of insomnia.

Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists

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Page/Page column 48, (2009/07/17)

Compounds of the formula I: or a pharmaceutically acceptable salt thereof, wherein, R1 is optionally substituted pyrazolyl, and R2, R3, R4, R5, R6, R7 and R8 are as defined herein. Also disclosed are methods of using the compounds for treating diseases associated with P2X3 and/or a P2X2/3 receptor antagonists and methods of making the compounds.

1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS

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Page/Page column 112, (2010/11/24)

The present invention relates to l H-Quinazoline-2,4-diones of formula (I) wherein R1 and R2 are as defined in the specification, their preparation, their use as AMPA-receptor ligands, in particular for the treatment of epilepsy or schizophrenia, and pharmaceutical compositions containing them. Further, intermediates for the manufacture of compounds of formula (I) and combinations comprising compounds of formula (I) are disclosed.

DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERTO

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Page/Page column 129, (2010/02/10)

The present invention relates to certain pyrazole derivatives of Formula (I) and pharmaceutical compositions thereof that modulate the activity of the 5-HT2A serotonin receptor. Compounds and pharmaceutical compositions thereof are directed to

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