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18048-64-1

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18048-64-1 Usage

Description

1-(3,4-DIMETHYLPHENYL)-3-METHYL-3-PYRAZOLIN-5-ONE is a chemical compound with the molecular formula C12H15NO. It is a derivative of pyrazolone, featuring a 3,4-dimethylphenyl group attached to the first position and a methyl group at the third position. 1-(3,4-DIMETHYLPHENYL)-3-METHYL-3-PYRAZOLIN-5-ONE is known for its potential applications in various fields, particularly in the synthesis of pharmaceuticals and agrochemicals.
Used in Pharmaceutical Industry:
1-(3,4-DIMETHYLPHENYL)-3-METHYL-3-PYRAZOLIN-5-ONE is used as a reagent for the enantioselective aminoalkylation of pyrazol-3-ones. This process is crucial in the synthesis of chiral compounds, which are essential in the development of new drugs with improved efficacy and reduced side effects. The enantioselective approach ensures that the desired chiral center is formed, leading to more effective and safer medications.
Used in Agrochemical Industry:
1-(3,4-DIMETHYLPHENYL)-3-METHYL-3-PYRAZOLIN-5-ONE can also be utilized in the synthesis of agrochemicals, such as pesticides and herbicides. The enantioselective synthesis of these compounds can result in more targeted and environmentally friendly products, reducing the impact on non-target organisms and ecosystems.

Check Digit Verification of cas no

The CAS Registry Mumber 18048-64-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,8,0,4 and 8 respectively; the second part has 2 digits, 6 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 18048-64:
(7*1)+(6*8)+(5*0)+(4*4)+(3*8)+(2*6)+(1*4)=111
111 % 10 = 1
So 18048-64-1 is a valid CAS Registry Number.
InChI:InChI=1/C12H14N2O/c1-8-4-5-11(6-9(8)2)14-12(15)7-10(3)13-14/h4-6H,7H2,1-3H3

18048-64-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(3,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one

1.2 Other means of identification

Product number -
Other names -

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 -
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More Details:18048-64-1 SDS

18048-64-1Relevant articles and documents

Iodine-catalyzed oxidative annulation: Facile synthesis of pyrazolooxepinopyrazolones: Via methyl azaarene sp3C-H functionalization

Zhang, Xin-Ke,Miao, Xiao-Yu,Zhou, Yu,Wang, Yu-Mei,Song, Ying-Chun,Liu, Hang,Xiong, Yi-Lu,Li, Ling-Yu,Wu, An-Xin,Zhu, Yan-Ping

supporting information, p. 1236 - 1242 (2022/02/19)

An iodine-catalyzed methyl azaarene sp3 C-H functionalization has been developed for the synthesis of a seven-membered O-heterocyclic architecture containing three different heterocyclic aromatic hydrocarbons. This method can be applied to a wide range of substituted methyl azaarenes and diverse 2,4-dihydro-3H-pyrazol-3-ones, and brings about the efficient preparation of 2,9-dihydrooxepino[2,3-c:6,5-c′]dipyrazol-3(7H)-ones in high yields with the merits of low catalyst loading, good functional group tolerance and metal-free conditions.

Preparation method of eltrombopag intermediate and preparation method of eltrombopag diethanolamine salt

-

Paragraph 0051-0052; 0054, (2021/06/22)

The invention provides a preparation method of an eltrombopag intermediate and a preparation method of eltrombopag diethanolamine salt, and relates to the technical field of medicinal chemistry. According to the preparation method of the eltrombopag intermediate, p-bromophenol is taken as a raw material, and the problem of poor selectivity of nitration reaction is solved. After iodination, the coupling reaction yield of the intermediate compound as shown in a formula (I) and phenylboronic acid is high. Subsequently reduction reaction is carried out, the debromination reaction is complete, the yield is 90% or more, the refining is simpler, and the synthesis yield of the compound of the formula (I) is higher and the operation is simple. Through the improvement, the yield of the key compound shown as the formula (I) is relatively high, the subsequent treatment operation is simple, the process is easy for amplified production, the yield of the whole synthesis process of the eltrombopag diethanolamine salt is 48.1%, the operation is simple, less three wastes are generated, and the synthesis process is suitable for amplified production.

Metal-Free Direct C–H Thiolation and Thiocyanation of Pyrazolones

Kittikool, Tanakorn,Yotphan, Sirilata

supporting information, (2020/02/13)

Metal-free approach for direct C–H thiolation and thiocyanation of N-substituted pyrazolones with disulfides and thiocyanate salts, respectively, are developed. These reactions allow the C–S bond coupling to proceed effectively under mild conditions, providing useful and convenient methods for preparation of a series of 4-thio-substituted pyrazolone analogues, which have potential applications in organic, medicinal and material chemistry. Preliminary mechanistic investigation suggested that radical processes are likely to involve in these transformations.

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