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1H-Pyrazole-4-carbonyl chloride, 1,3-dimethyl(9CI) is a chemical compound with the molecular formula C6H7ClN2O. It is a carbonyl chloride derivative of 1H-pyrazole, a five-membered heterocyclic compound containing a nitrogen atom. 1H-Pyrazole-4-carbonyl chloride, 1,3-dimethyl(9CI) is commonly used as a reagent in organic synthesis to introduce the pyrazole ring into other compounds. It can also be utilized in the production of pharmaceuticals, agrochemicals, and other fine chemicals. Additionally, 1H-Pyrazole-4-carbonyl chloride, 1,3-dimethyl(9CI) is known to possess certain biological activities, and its derivatives have potential applications in the field of medicinal chemistry. 1H-Pyrazole-4-carbonyl chloride, 1,3-dimethyl(9CI) should be handled with care due to its potentially hazardous nature.

113100-61-1

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113100-61-1 Usage

Uses

Used in Organic Synthesis:
1H-Pyrazole-4-carbonyl chloride, 1,3-dimethyl(9CI) is used as a reagent in organic synthesis for introducing the pyrazole ring into other compounds. This allows for the creation of a variety of new molecules with potential applications in various industries.
Used in Pharmaceutical Production:
In the pharmaceutical industry, 1H-Pyrazole-4-carbonyl chloride, 1,3-dimethyl(9CI) is used as a key intermediate in the synthesis of various drugs. Its ability to introduce the pyrazole ring into other molecules makes it a valuable component in the development of new pharmaceuticals.
Used in Agrochemical Production:
1H-Pyrazole-4-carbonyl chloride, 1,3-dimethyl(9CI) is also utilized in the production of agrochemicals, where it can be used to create compounds with potential applications in agriculture, such as pesticides or herbicides.
Used in Fine Chemicals Production:
1H-Pyrazole-4-carbonyl chloride, 1,3-dimethyl(9CI) is used in the production of fine chemicals, which are high-purity chemicals used in various applications, including research, pharmaceuticals, and other specialized industries.
Used in Medicinal Chemistry:
Due to its biological activities and potential applications, 1H-Pyrazole-4-carbonyl chloride, 1,3-dimethyl(9CI) and its derivatives are used in medicinal chemistry for the development of new therapeutic agents and drug candidates.

Check Digit Verification of cas no

The CAS Registry Mumber 113100-61-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,3,1,0 and 0 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 113100-61:
(8*1)+(7*1)+(6*3)+(5*1)+(4*0)+(3*0)+(2*6)+(1*1)=51
51 % 10 = 1
So 113100-61-1 is a valid CAS Registry Number.

113100-61-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,3-Dimethyl-1H-pyrazole-4-carbonyl chloride

1.2 Other means of identification

Product number -
Other names 1,3-dimethylpyrazole-4-carbonyl chloride

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:113100-61-1 SDS

113100-61-1Relevant academic research and scientific papers

SPIRO-SULFONIMIDAMIDE DERIVATIVES AS INHIBITORS OF MYELOID CELL LEUKEMIA-1 (MCL-1) PROTEIN

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Paragraph 00377, (2021/10/22)

The disclosure is directed to compounds of Formula (I). Pharmaceutical compositions comprising compounds of Formula (I) as well as methods of their use and preparation, are also described.

Improved synthesis of sterically encumbered heteroaromatic biaryls from aromatic β-keto esters

Rosen, Brandon R.,Ul Sharif, Ehesan,Miles, Dillon H.,Chan, Nicholas S.,Leleti, Manmohan R.,Powers, Jay P.

supporting information, (2020/03/25)

A protocol for the synthesis of hindered 4-aryl 2-aminopyrimidines from β–keto esters is described. The process employs trifluoroethanol as an essential additive to promote the guanidine condensation reaction, enabling the synthesis of 25 aryl- and heteroaryl substituted aminopyrimidines in good yields and high purities with no column chromatography. The conditions described herein are readily scalable and have been employed in the large-scale synthesis of the clinical A2a/A2bR antagonist AB928.

(1H-pyrazole-4-carboxamido) ethyl benzoate compound as well as preparation method and application thereof

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Paragraph 0140; 0147, (2020/01/08)

The invention discloses an ethyl (1H-pyrazole-4-carboxamido) benzoate compound as well as a preparation method and application thereof. The structural formula of the (1H-pyrazole-4-carboxamido) ethylbenzoate compound is as shown in the formula (I), wherein the substituent groups R1 are phenyl or substituted phenyl, the number of substituent groups on a benzene ring of the substituted phenyl is one or more, and each substituent group is independently selected from H, halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C3 halogenated alkyl or nitro; and the substituent R2 is methyl, monofluoromethyl, difluoromethyl or trifluoromethyl. The invention discloses a novel compound with bactericidal activity, which is simple in preparation method and convenient to operate, and the obtained compound has betterinhibitory activity on pathogenic bacteria such as cucumber botrytis cinerea, fusarium oxysporum, cucumber corynespora leaf spot and the like under the concentration of 50 mg/mL.

Synthesis and Nematocidal Activity of N-Substituted 3-Methyl-1H-pyrazole-4-carboxamide Derivatives Against Meloidogyne incognita

Cheng, Long,Shen, Zhong-Hua,Xu, Tian-Ming,Tan, Cheng-Xia,Weng, Jian-Quan,Han, Liang,Peng, Wei-Li,Liu, Xing-Hai

, p. 946 - 950 (2018/02/12)

A series of novel pyrazole carboxamides were designed and synthesized through multi-step reactions from ethyl acetoacetate and triethyl orthoformate, and their structures were characterized by Fourier transform infrared, 1H-NMR, 13C-NMR, mass spectrometry, and elemental analysis. The preliminary insecticidal activity showed that some of them possessed good insecticidal activities against Meloidogyne incognita.

1,3-dimethyl-1H-pyrazole-4-amide derivative as well as preparation method and application thereof

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Paragraph 0030; 0035; 0036, (2018/06/16)

The invention relates to a 1,3-dimethyl-1H-pyrazole-4-amide derivative as well as a preparation method and application thereof. The derivative is prepared by the steps of carrying out reflux on ethylacetoacetate and triethyl orthoformate in acetic anhydride, adding into methylhydrazine so as to prepare 1,3-dimethyl-1H-pyrazole-4-ethyl formate, carrying out hydrolysis, adding hydrochloric acid soas to prepare 1,3-dimethyl-1H-pyrazole-4-carboxylic acid, reacting by virtue of 1,3-dimethyl-1H-pyrazole-4-carboxylic acid and sulfoxide chloride, adding dichloromethane for dilution, and adding arylalkylamine and triethylamine, so as to prepare the 1,3-dimethyl-1H-pyrazole-4-amide derivative. The preparation method is simple and convenient in operation; the obtained compound has optimal inhibitory activity to sclerotinia sclerotiorum at 50ppm, and the inhibition ratio reaches 87.5%; the obtained compound has relatively good inhibitory activity to macrophoma kawatsukai, and the inhibition ratio is equal to that of a contrast medicament; and the compound is a novel compound with bactericidal activity, and the foundation is provided for the research and development of novel pesticides.

Acyl thiourea compound containing 1,3-dimethyl-1H-pyrazole structure and preparation method and application thereof

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Paragraph 0016; 0028, (2017/09/05)

The invention discloses an acyl thiourea compound containing a 1,3-dimethyl-1H-pyrazole structure and a preparation method and application thereof. The preparation method comprises the following steps: firstly using ethyl acetoacetate, triethyl orthoforma

Acyl urea compound containing 1,3-dimethyl-1H-pyrazole structure and preparation method and application thereof

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Paragraph 0029, (2017/09/05)

The invention discloses an acyl urea compound containing a 1,3-dimethyl-1H-pyrazole structure and a preparation method and application thereof. The preparation method comprises the following steps: firstly using ethyl acetoacetate, triethyl orthoformate and methylhydrazine as raw materials to synthesize 1,3-dimethyl-1H-pyrazole-4-formic acid, performing the amidation to obtain 1,3-dimethyl-1H-pyrazole-4-formamide, and reacting with oxalyl chloride and substituted anilines to obtain a final product (I). The raw materials are simple and are easily obtained, the preparation method is simple, the aftertreatment is convenient, and the product yield is high. The compound has the antifungal activity, and has the good sterilizing effect in allusion to sclerotinia sclerotiorum, rhizoctonia solani, Cercospora arachidicola Hori, Macrophoma kawatsukai, and alternaria solani especially. The foundation is provided for new pesticide research and development.

Amide compound containing methylpyrazole and preparation method the application thereof

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Paragraph 0015, (2017/08/28)

The invention discloses an amide compound containing methylpyrazole and a preparation method the application thereof. The compound, namely the N-substituted-(1,3-dimethyl-1H-pyrazol-4-yl) is a new compound having nematocidal activity and is especially used for preventing and controlling meloidogyn incognita and the like, and a foundation is provided for research and development of new pesticides.

Tetrazolinone compound and application for same

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Paragraph 0649; 0650, (2016/10/08)

Provided is a tetrazolinone compound given by formula (1) (wherein E represents the following group E16 or the like; Y represents -O-CH2- or the like; Q represents the following group Q46 or the like; R8 represents a C1-C6 alkyl group; R3, R30, and R31 may be the same or different, and represent hydrogen atoms or the like; A represents a C6-C16 aryl group or the like, optionally having one or more atoms or groups selected from the group P1; R5 represents a C1-C3 alkyl group; and X represents an oxygen or sulfur atom), and having exceptional efficacy in controlling harmful organisms.

Synthesis and antifungal activity of the derivatives of novel pyrazole carboxamide and isoxazolol pyrazole carboxylate

Sun, Jialong,Zhou, Yuanming

, p. 4383 - 4394 (2015/05/06)

A series of pyrazole carboxamide and isoxazolol pyrazole carboxylate derivatives were designed and synthesized in this study. The structures of the compounds were elucidated based on spectral data (infrared, proton nuclear magnetic resonance and mass spectroscopy). Then, all of the compounds were bioassayed in vitro against four types of phytopathogenic fungi (Alternaria porri, Marssonina coronaria, Cercospora petroselini and Rhizoctonia solani ) using the mycelium growth inhibition method. The results showed that some of the synthesized pyrazole carboxamides displayed notable antifungal activity. The isoxazole pyrazole carboxylate 7ai exhibited significant antifungal activity against R. solani, with an EC50 value of 0.37 μg/mL. Nonetheless, this value was lower than that of the commercial fungicide, carbendazol.

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