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3,5-Dimethyl-1-(1-Oxopropyl)-1H-Pyrazole is a pyrazole derivative with the molecular formula C8H12N2O. It features a pyrazole ring with methyl groups at the 3 and 5 positions and a 1-oxopropyl group at the 1 position. This chemical compound is known for its potential applications in the synthesis of pharmaceuticals and agrochemicals, as well as its possible biological activities due to the presence of the pyrazole ring.

37612-61-6

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37612-61-6 Usage

Uses

Used in Pharmaceutical Industry:
3,5-Dimethyl-1-(1-Oxopropyl)-1H-Pyrazole is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs, potentially offering novel therapeutic options.
Used in Agrochemical Industry:
In the agrochemical sector, 3,5-Dimethyl-1-(1-Oxopropyl)-1H-Pyrazole serves as an intermediate in the production of agrochemicals. Its incorporation into these products can lead to the creation of new pesticides or other agricultural chemicals that may enhance crop protection and yield.
Used in Biological Research:
3,5-Dimethyl-1-(1-Oxopropyl)-1H-Pyrazole is utilized in biological research to explore its potential biological activities. The presence of the pyrazole ring suggests that it may interact with biological systems, and ongoing studies aim to uncover its specific applications in medicine and other fields.

Check Digit Verification of cas no

The CAS Registry Mumber 37612-61-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,7,6,1 and 2 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 37612-61:
(7*3)+(6*7)+(5*6)+(4*1)+(3*2)+(2*6)+(1*1)=116
116 % 10 = 6
So 37612-61-6 is a valid CAS Registry Number.

37612-61-6SDS

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 1-(3,5-dimethylpyrazol-1-yl)propan-1-one

1.2 Other means of identification

Product number -
Other names 3,5-Dimethyl-1-propionyl-1H-pyrazol

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:37612-61-6 SDS

37612-61-6Relevant academic research and scientific papers

Enantio- and Site-Selective α-Fluorination of N-Acyl 3,5-Dimethylpyrazoles Catalyzed by Chiral π–CuII Complexes

Ishihara, Kazuaki,Nishimura, Kazuki,Yamakawa, Katsuya

supporting information, p. 17641 - 17647 (2020/08/14)

Catalytic enantioselective α-fluorination reactions of carbonyl compounds are among the most powerful and efficient synthetic methods for constructing optically active α-fluorinated carbonyl compounds. Nevertheless, α-fluorination of α-nonbranched carboxylic acid derivatives is still a big challenge because of relatively high pKa values of their α-hydrogen atoms and difficulty of subsequent synthetic transformation without epimerization. Herein we show that chiral copper(II) complexes of 3-(2-naphthyl)-l-alanine-derived amides are highly effective catalysts for the enantio- and site-selective α-fluorination of N-(α-arylacetyl) and N-(α-alkylacetyl) 3,5-dimethylpyrazoles. The substrate scope of the transformation is very broad (25 examples including a quaternary α-fluorinated α-amino acid derivative). α-Fluorinated products were converted into the corresponding esters, secondary amides, tertiary amides, ketones, and alcohols with almost no epimerization in high yield.

Direct Catalytic Chemoselective α-Amination of Acylpyrazoles: A Concise Route to Unnatural α-Amino Acid Derivatives

Tokumasu, Keisuke,Yazaki, Ryo,Ohshima, Takashi

supporting information, p. 2664 - 2669 (2016/03/12)

A direct copper-catalyzed highly chemoselective α-amination is described. Acylpyrazole proved to be a highly efficient enolate precursor of a carboxylic acid oxidation state substrate, while preactivation by a stoichiometric amount of strong base has been used in catalytic α-aminations. The simultaneous activation of both coupling partners, enolization and metal nitrenoid formation, was crucial for obtaining the product, and wide functional group compatibility highlighted the mildness of the present catalysis. The bidentate coordination mode was amenable to highly chemoselective activation over ketone and much more acidic nitroalkyl functionality. Deuterium exchange experiments clearly demonstrated that exclusive enolization of acylpyrazole was achieved without the formation of a nitronate. The present catalysis was applied to late-stage α-amination, allowing for concise access to highly versatile α-amino acid derivatives. The product could be transformed into variety of useful building blocks.

Copper-catalyzed C–N cross-coupling of arylboronic acids with N-acylpyrazoles

Zhang, Jin,Jia, Run-Ping,Wang, Dong-Hui

supporting information, p. 3604 - 3607 (2016/07/21)

A copper-catalyzed C–N bond forming reaction of arylboronic acids and N-acylpyrazoles was developed. This procedure used N-acetyl protected pyrazoles as starting material instead of free pyrazoles (NH). The reaction worked under neutral conditions and did not require any base or ligand. The reaction showed good functional group tolerance.

Preparation of β-substituted γ-keto esters by the grignard reaction on N-acylpyrazoles

Kashima, Choji,Shirahata, Yoshie,Tsukamoto, Yoshihiro

, p. 309 - 317 (2007/10/03)

Various γ-keto esters were prepared by either the alcoholysis of N-(4-oxoalkanoyl)pyrazoles or the Grignard replacement of pyrazole moiety of 4-(N-pyrazolyl)-4-oxoalkanoic esters. By using 3-phenyl-ι-menthopyrazole as a chiral auxiliary, β-substituted γ-keto esters were enantioselectively obtained.

Ring-ring tautomerism in 1,3-alkanoylhydrazonoximes of acetylacetone

Ershov,Dobrodumov

, p. 722 - 727 (2007/10/03)

The coexistence in solution of tautomeric isoxazoline and pyrazoline forms of 1,3-alkanoylhydrazonoxime of acetylacetone has been detected and investigated by 1H and 13C NMR spectroscopic methods. The compounds indicated eliminate hydroxylamine under the action of acid catalysts, forming 1-acyl-3,5-dimethylpyrazoles.

Diastereoselective α-alkylation of 2-acyl-3-phenyl-l-menthopyrazoles

Kashima,Fukuchi,Hosomi

, p. 7821 - 7824 (2007/10/02)

N-Acylpyrazoles were α-alkylated in good yields by the treatment with alkyl halides after metalation with LDA or LiHMDS. In the case of chiral N-acylpyrazoles, e.g., 2-acyl-3-phenyl-l-menthopyrazoles (4), the α-alkylation was highly diastereoselective. The subsequent α-alkylation products could be converted into esters in good yield in the presence of BF3·OEt2 without the loss of the optical purity.

The preparation of N-acetylpyrazoles and their behavior toward alcohols

Kashima,Harada,Kita,Fukuchi,Hosomi

, p. 61 - 65 (2007/10/02)

According to four different methods, various types of n-acylpyrazoles were prepared from the corresponding pyrazoles and carboxylic acids or their acid chlorides. Although A-acylpyrazoles were inert to alcohols under neutral or weakly basic conditions, th

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