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1131-16-4

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1131-16-4 Usage

Chemical Properties

clear orange liquid

Uses

3,5-Dimethyl-1-phenyl-1H-pyrazole is a reactant used in the synthesis of hedgehog enzyme inhibitors SANT-1 and GANT-61 as anticancer agents.

Check Digit Verification of cas no

The CAS Registry Mumber 1131-16-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,1,3 and 1 respectively; the second part has 2 digits, 1 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1131-16:
(6*1)+(5*1)+(4*3)+(3*1)+(2*1)+(1*6)=34
34 % 10 = 4
So 1131-16-4 is a valid CAS Registry Number.
InChI:InChI=1/C11H12N2/c1-9-8-10(2)13(12-9)11-6-4-3-5-7-11/h3-8H,1-2H3

1131-16-4 Well-known Company Product Price

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  • Alfa Aesar

  • (B25489)  3,5-Dimethyl-1-phenyl-1H-pyrazole, 97%   

  • 1131-16-4

  • 5g

  • 541.0CNY

  • Detail
  • Alfa Aesar

  • (B25489)  3,5-Dimethyl-1-phenyl-1H-pyrazole, 97%   

  • 1131-16-4

  • 25g

  • 2285.0CNY

  • Detail

1131-16-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,5-Dimethyl-1-phenylpyrazole

1.2 Other means of identification

Product number -
Other names 1H-Pyrazole, 3,5-dimethyl-1-phenyl-

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:1131-16-4 SDS

1131-16-4Relevant articles and documents

A green protocol for catalyst-free syntheses of pyrazole in glycerol-water solution

Min, Zhen-Li,Zhang, Qian,Hong, Xing,Cao, Xiao-Lu,Hu, Xia-Min

, p. 3205 - 3207 (2015)

An efficient green protocol for preparing pyrazole derivatives using glycerol and water as a mixture solvent is described. The advantages of the present method lie in using economic and environmentally benign solvent, no use of catalyst, mild reaction conditions and good yields.

Translating high-temperature microwave chemistry to scalable continuous flow processes

Damm, Markus,Glasnov, Toma N.,Kappe, C. Oliver

, p. 215 - 224 (2010)

A comparison between batch microwave and conventionally heated continuous flow scale-up protocols for three selected model reactions is presented. Using high-temperature/-pressure conditions as process intensification principles, reaction times for all three transformations were reduced to a few seconds or minutes at temperatures ranging from.

Highly reusable support-free copper(II) complex of para-hydroxy-substituted salen: Novel, efficient and versatile catalyst for C─N bond forming reactions

Sharghi, Hashem,Aberi, Mahdi,Shiri, Pezhman

, (2017)

An air-stable, highly active and versatile method for C─N bond forming reactions is reported. Under mild conditions using a highly reusable support-free Cu(II)–salen complex, structurally diverse N-aryl-substituted compounds were obtained via direct C─N bond forming reaction of HN-heterocycles with aryl iodides or three-component C─N bond forming reaction of 2-bromobenzaldehyde, aniline derivatives and sodium azide in good to excellent yields. C─N bond forming reaction for benzimidazole derivatives was also performed in the presence of the catalyst under ambient conditions. A series of hybrid benzimidazoles bearing morpholine, tetrazole and quinoxaline backbones were produced using this method. All reactions were performed in short times under air. The Cu(II) catalyst could be reused up to eight times in the direct cross-coupling reaction of 9H–carbazole with iodobenzene without any decrease in its catalytic activity.

Synthesis of 1,3,5-Trisubstituted Pyrazoles and Hydrazones Using Fe3O4?CeO2 Nanocomposite as an Efficient Heterogeneous Nanocatalyst

Hassani, H.,Jahani, Z.

, p. 485 - 490 (2020)

Abstract: Pyrazoles and hydrazones, as two significant kinds of potentially bioactivecompounds, were produced with good to excellent yields by condensation ofβ-dicarbonyl compounds with hydrazines in aqueous media in the presence ofFe3O4?CeO2nanocomposite as an efficient heterogeneous nanocatalyst. The magneticnanocatalyst can readily be separated using an external magnet and reused atleast six times without significant loss in activity. The products werecharacterized by IR and 1H and13C NMR spectra.

Interconversion of nicotine enantiomers during heating and implications for smoke from combustible cigarettes, heated tobacco products, and electronic cigarettes

Moldoveanu, Serban C.

, p. 667 - 677 (2022/02/02)

Physiological properties of (R)-nicotine have differences compared with (S)-nicotine, and the subject of (S)- and (R)-nicotine ratio in smoking or vaping related items is of considerable interest. A Liquid Chromatography-Mass Spectrometry/Mass Spectrometry (LC-MS/MS) method for the analysis of (S)- and (R)-nicotine has been developed and applied to samples of nicotine from different sources, nicotine pyrolyzates, several types of tobacco, smoke from combustible cigarettes, smoke from heated tobacco products, e-liquids, and particulate matter obtained from e-cigarettes aerosol. The separation was achieved on a Chiracel OJ-3 column, 250 × 4.6 mm with 3-μm particles using a nonaqueous mobile phase. The detection was performed using atmospheric pressure chemical ionization (APCI) in positive mode. The only transition measured for the analysis of nicotine was 163.1 → 84.0. The method has been summarily validated. For the analysis, the samples of tobacco and smoke from combustible cigarettes were subject to a cleanup procedure using solid phase extraction (SPE). It was demonstrated that nicotine upon heating above 450°C for several minutes starts decomposing, and some formation of (R)-enantiomer from a sample of 99% (S)-nicotine is observed. An analogous process takes place when a 99% (R)-nicotine is heated and forms low levels of (S)-nicotine. This interconversion has the effect of slightly increasing the content of (R)-nicotine in smoke compared with the level in tobacco for combustible cigarettes and for heated tobacco products. The (S)/(R) ratio of nicotine enantiomers in e-liquids was identical with the ratio for the particulate phase of aerosols generated by e-cigarette vaping.

Cross-Coupling between Hydrazine and Aryl Halides with Hydroxide Base at Low Loadings of Palladium by Rate-Determining Deprotonation of Bound Hydrazine

Borate, Kailaskumar,Choi, Kyoungmin,Goetz, Roland,Hartwig, John F.,Shinde, Harish,Wang, Justin Y.,Zuend, Stephan J.

, p. 399 - 408 (2020/10/29)

Reported here is the Pd-catalyzed C–N coupling of hydrazine with (hetero)aryl chlorides and bromides to form aryl hydrazines with catalyst loadings as low as 100 ppm of Pd and KOH as base. Mechanistic studies revealed two catalyst resting states: an arylpalladium(II) hydroxide and arylpalladium(II) chloride. These compounds are present in two interconnected catalytic cycles and react with hydrazine and base or hydrazine alone to give the product. The selectivity of the hydroxide complex with hydrazine to form aryl over diaryl hydrazine was lower than that of the chloride complex, as well as the catalytic reaction. In contrast, the selectivity of the chloride complex closely matched that of the catalytic reaction, indicating that the aryl hydrazine is derived from this complex. Kinetic studies showed that the coupling process occurs by rate-limiting deprotonation of a hydrazine-bound arylpalladium(II) chloride complex to give an arylpalladium(II) hydrazido complex.

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