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5-Chloromethyl-2-isopropyl-thiazole is a chemical compound characterized by the molecular formula C8H12ClNS. It is a thiazole derivative featuring a chloromethyl group at the 5th position and an isopropyl group at the 2nd position. This pale yellow liquid with a distinctive odor is utilized as a versatile building block in various chemical applications, particularly in organic synthesis and pharmaceutical manufacturing. It also holds potential for use in the development of agrochemicals and specialty chemicals, making it a valuable component in the creation of new compounds and products.

40516-57-2

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40516-57-2 Usage

Uses

Used in Organic Synthesis:
5-Chloromethyl-2-isopropyl-thiazole serves as a key building block in organic synthesis, contributing to the formation of complex organic molecules. Its unique structure allows for various chemical reactions, facilitating the synthesis of a wide range of compounds.
Used in Pharmaceutical Manufacturing:
In the pharmaceutical industry, 5-Chloromethyl-2-isopropyl-thiazole is employed as an intermediate in the production of various drugs. Its presence in the molecular structure of these drugs can influence their pharmacological properties, such as potency, selectivity, and bioavailability.
Used in Agrochemical Development:
5-Chloromethyl-2-isopropyl-thiazole may also find applications in the development of agrochemicals, where it can be incorporated into the molecular structure of pesticides, herbicides, or other agricultural chemicals. Its inclusion can potentially enhance the effectiveness of these products or provide new modes of action against pests and diseases.
Used in Specialty Chemicals:
This thiazole derivative has potential applications in the creation of specialty chemicals, which are tailored for specific industries or applications. Its unique properties and reactivity can be harnessed to develop new products with improved performance or novel functionalities.
It is important to handle and store 5-Chloromethyl-2-isopropyl-thiazole according to standard safety procedures for organic compounds to ensure the safety of both the environment and individuals involved in its use.

Check Digit Verification of cas no

The CAS Registry Mumber 40516-57-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,5,1 and 6 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 40516-57:
(7*4)+(6*0)+(5*5)+(4*1)+(3*6)+(2*5)+(1*7)=92
92 % 10 = 2
So 40516-57-2 is a valid CAS Registry Number.
InChI:InChI=1/C7H10ClNS/c1-5(2)7-9-6(3-8)4-10-7/h4-5H,3H2,1-2H3

40516-57-2Relevant academic research and scientific papers

A 2 - isopropyl -4 - (methyl amino methyl) thiazole synthesis method (by machine translation)

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Paragraph 0021; 0022; 0023; 0032; 0033; 0043; 0053; 0063, (2017/05/10)

The invention discloses a 2 - isopropyl - 4 - (methyl amino methyl) thiazole synthesis method, in order to 2, 2 - dimethyl - 4 - methylene - 1, 3 - dioxane as the starting material, with a halo reagent addition reaction with a further thio isobutyramide after condensation to produce 2 - isopropyl - 4 - hydroxymethyl thiazole, through chlorination obtained after 2 - isopropyl - 4 - chloro methyl thiazole, finally with the methylamine substitution reaction, to obtain 2 - isopropyl - 4 - (methyl amino methyl) thiazole. The method of the invention novel routes, to avoid the use of toxic chemicals as the raw material, the operation is simple, mild condition, has the potential development of industrialization. (by machine translation)

NOVEL COMPOUND, ORGANIC CATION TRANSPORTER 3 DETECTION AGENT, AND ORGANIC CATION TRANSPORTER 3 ACTIVITY INHIBITOR

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Paragraph 0782-0783; 0785, (2016/08/17)

[Problem] The present invention addresses the problem of providing a novel compound. The present invention also addresses the problem of providing an OCT3 detection agent or an OCT3 activity inhibitor, which comprises the novel compound. [Solution] A compound represented by formula (A), a pharmaceutically acceptable salt thereof, or a pharmaceutically acceptable solvate thereof. ????????R1-R2-R3-R4?????(A)

Structure-activity relationships of diamine inhibitors of cytochrome P450 (CYP) 3A as novel pharmacoenhancers. Part II: P2/P3 region and discovery of cobicistat (GS-9350)

Xu, Lianhong,Liu, Hongtao,Hong, Allen,Vivian, Randy,Murray, Bernard P.,Callebaut, Christian,Choi, You-Chul,Lee, Melody S.,Chau, Jennifer,Tsai, Luong K.,Stray, Kirsten M.,Strickley, Robert G.,Wang, Jianhong,Tong, Leah,Swaminathan, Swami,Rhodes, Gerry R.,Desai, Manoj C.

, p. 995 - 999 (2014/02/14)

The HIV protease inhibitor (PI) ritonavir (RTV) has been widely used as a pharmacoenhancer for other PIs, which are substrates of cytochrome P450 3A (CYP3A). However the potent anti-HIV activity of ritonavir may limit its use as a pharmacoenhancer with other classes of anti-HIV agents. Ritonavir is also associated with limitations such as poor physicochemical properties. To address these issues a series of compounds with replacements at the P2 and/or P3 region was designed and evaluated as novel CYP3A inhibitors. Through these efforts, a potent and selective inhibitor of CYP3A, GS-9350 (cobicistat) with improved physiochemical properties was discovered.

Thiazole derivate and process for its preparation

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, (2008/06/13)

The invention relates to a thiazole derivative represented by the formula (1) wherein R2 is an alkyl group having 1 to 4 carbon atoms. The thiazole derivative of the invention is prepared by reacting 2-isopropyl-4-chloromethylthiazole with an N-alkyl-acid amide-alkali metal salt in an aromatic hydrocarbon to give a thiazole-N-alkyl-acid amidated product, and hydrolyzing the resulting compound in the presence of an aromatic hydrocarbon. The thiazole derivative of the formula (1) prepared according to the invention can be suitably used as information display materials, antiglare materials, and intermediates for preparation of medicaments, agricultural chemicals.

Benzhydrylpiperozinyl thiazole derivatives and pharmaceutical composition comprising the same

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, (2008/06/13)

Benzhydrylpiperazinyl Thiazole compounds of the formula STR1 wherein R1 is hydrogen, amino, or mono- or di- substituted amino, in which the substituent is selected from lower alkyl, acyl and di(lower)alkylaminomethylene, R2 is hydrogen, halogen, lower alkyl or aryl, R3 is ar(lower)alkyl optionally substituted by halogen, A is lower alkylene optionally interrupted by a sulfur atom, and Y is C1 -C3 alkylene, having antiallergic activity.

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