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The chemical compound "prop-2-en-1-yl 2-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate" is a complex organic molecule with a molecular formula of C34H27BrN4O4S2. It features a pyrazol-4-yl group connected to a [1,3]thiazolo[3,2-a]pyrimidine core, which is further substituted with various functional groups, including a 3-bromo-4-methoxyphenyl, a phenyl, a methylsulfanylphenyl, and a prop-2-en-1-yl group. prop-2-en-1-yl 2-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is characterized by its unique structure and potential applications in medicinal chemistry, possibly as a precursor or intermediate in the synthesis of pharmaceuticals.

6998-11-4

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6998-11-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6998-11-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,9,9 and 8 respectively; the second part has 2 digits, 1 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 6998-11:
(6*6)+(5*9)+(4*9)+(3*8)+(2*1)+(1*1)=144
144 % 10 = 4
So 6998-11-4 is a valid CAS Registry Number.

6998-11-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name prop-2-enyl 2-[[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

1.2 Other means of identification

Product number -
Other names N-(4-bromophenyl)octanamide

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:6998-11-4 SDS

6998-11-4Downstream Products

6998-11-4Relevant academic research and scientific papers

Cu-Mediated Synthesis of Indolines and Dihydroisoquinolinones through Arylperfluoroalkylation of Unactivated Alkenes

Li, Dandan,Wang, Yan,Jia, Zhenzhen,Ou, Zhaocheng,Dong, Yongrui,Lv, Cunjie,Fu, Guangbin,Liang, Deqiang

, p. 4797 - 4804 (2019/08/12)

The copper-mediated fluroalkylation/cyclization of N-allyl anilines has been described using fluoroalkyl iodides as fluoroalkylation reagents for the first time. The reaction provides an efficient and direct access to 3-fluoroalkyl indolines in moderate to good yields with unactivated double bonds as the radical acceptor. This protocol combines a simple experimental procedure with low-costing fluoroalkylated sources and excellent functional group tolerance.

Synthesis of CF3CH2-Containing Indolines by Transition-Metal-Free Aryltrifluoromethylation of Unactivated Alkenes

Liang, Deqiang,Dong, Qishan,Xu, Penghui,Dong, Ying,Li, Weili,Ma, Yinhai

, p. 11978 - 11986 (2018/09/27)

With an unactivated double bond as the radical acceptor, allyl amines underwent a metal-free trifluoromethylation/cyclization cascade with CF3SO2Na (Langlois' reagent), affording CF3CH2-containing indolines and tetrahydroisoquinolines, whose practical syntheses are significant challenges. This protocol features mild conditions, low cost, and a broad substrate scope.

Synthetic method of CF3-containing indoline and 1,2,3,4-tetrahydroisoquinoline

-

Paragraph 0027; 0029; 0030; 0031; 0042, (2019/01/14)

The invention discloses a synthetic method of CF3-containing indoline and 1,2,3,4-tetrahydroisoquinoline and relates to the technical field of compound synthesis. The synthetic method herein is basedon metal-free trifluoromethylation/cyclization free radical cascade reaction using a nonactive olefin dual-bond as a free radical receptor; the reaction aforementioned helps synthesize, in one step, CF3-containing indoline and 1,2,3,4-tetrahydroisoquinoline. The synthetic method herein has the significant advantages of mild conditions, good operational simplicity, low cost, wide substrate range, good exo selectivity and the like.

Combining Eosin y with Selectfluor: A Regioselective Brominating System for Para-Bromination of Aniline Derivatives

Huang, Binbin,Zhao, Yating,Yang, Chao,Gao, Yuan,Xia, Wujiong

, p. 3799 - 3802 (2017/07/26)

A mild, metal-free, and absolutely para-selective bromination of aniline derivatives has been developed in excellent yields, wherein the organic dye Eosin Y is employed as the bromine source in company with Selectfluor. Neither air nor moisture sensitive, this facile reaction proceeds smoothly at room temperature and completes within a short time. Mechanistic studies indicate a radical pathway; therefore, the existence of an in situ generated brominating reagent, "Selectbrom", is postulated, which may reasonably account for the unique regioselectivity for the para-bromination of N-acyl- as well as N-sulfonylanilines.

Catalytic Aerobic Oxidation of Arylhydrazides with Iron Phthalocyanine

Hashimoto, Takuma,Hirose, Daisuke,Taniguchi, Tsuyoshi

supporting information, p. 3346 - 3352 (2015/11/03)

A convenient method for the synthesis of 2-arylazocarboxylates from 2-arylhydrazinecarboxylates by aerobic oxidation with iron phthalocyanine is described. The reaction is applicable to oxidative activation of 1-acyl-2-phenylhydrazines. Some preliminary experiments suggest Michaelis-Menten kinetics and participation of radical species in the reaction mechanism.

XtalFluor-E, an efficient coupling reagent for amidation of carboxylic acids

Orliac, Aurélie,Gomez Pardo, Domingo,Bombrun, Agnès,Cossy, Janine

supporting information, p. 902 - 905 (2013/03/29)

Amides were produced from carboxylic acids and amines by using XtalFluor-E as an activator. Even poorly reactive carboxylic acids can be transformed to amides. In addition, optically active amines and/or carboxylic acids were not epimerized/racemized during the process.

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