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ETHYL 1,6-DIMETHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE is an organic chemical compound that belongs to the family of pyrimidine derivatives. It features a pyrimidine ring, a six-membered heterocyclic ring with two nitrogen atoms and four carbon atoms, which is further substituted by various functional groups such as ethyl, dimethyl, phenyl, thioxo, and carboxylate. The diverse functional groups in its structure enhance its potential for chemical reactions, making it a candidate for use in pharmaceutical and chemical industries. However, its applications and toxicological data are not extensively documented, indicating it may be more prominent in theoretical or academic studies than in commercial or industrial applications.

108958-81-2

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108958-81-2 Usage

Uses

As the provided materials do not specify any particular uses for ETHYL 1,6-DIMETHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE, it is not possible to list specific applications or industries where it is used based on the given information. Further research or additional data would be required to determine its practical applications.

Check Digit Verification of cas no

The CAS Registry Mumber 108958-81-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,8,9,5 and 8 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 108958-81:
(8*1)+(7*0)+(6*8)+(5*9)+(4*5)+(3*8)+(2*8)+(1*1)=162
162 % 10 = 2
So 108958-81-2 is a valid CAS Registry Number.
InChI:InChI=1/C15H18N2O2S/c1-4-19-14(18)12-10(2)17(3)15(20)16-13(12)11-8-6-5-7-9-11/h5-9,13H,4H2,1-3H3,(H,16,20)/t13-/m1/s1

108958-81-2SDS

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 ethyl 3,4-dimethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

1.2 Other means of identification

Product number -
Other names 1,6-dimethyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester

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:108958-81-2 SDS

108958-81-2Relevant academic research and scientific papers

Biocatalytic combinatorial synthesis

Krstenansky, John L.,Khmelnitsky, Yuri

, p. 2157 - 2162 (1999)

Combinatorial biocatalysis, based on a principle of the combinatorial use of biosynthetic steps rather than the combinatorial use of reagents, offers a complementary approach to combinatorial chemistry, which, used individually or in connection with synthetic organic transformations, provides access to analogues not readily accessible by chemical synthetic means alone. The issues and strategies particular to this approach are discussed. Examples are given demonstrating these principles as well as the unique advantages of achieving chemo-, regio- and stereoselectivity under mild reaction conditions that biocatalytic methods offer.

Phytic acid: A biogenic organocatalyst for one-pot Biginelli reactions to 3,4-dihydropyrimidin-2(1H)-ones/thiones

Zhang, Qiguo,Wang, Xin,Li, Zhenjiang,Wu, Wenzhuo,Liu, Jingjing,Wu, Hao,Cui, Saide,Guo, Kai

, p. 19710 - 19715 (2014/05/20)

The natural organocatalyst phytic acid catalyzed one-pot Biginelli reactions by coupling β-ketoesters, aldehydes, and (thio)ureas to afford 3,4-dihydropyrimidin-2(1H)-ones/thiones. This phytic acid catalysis featured good to excellent isolated yields, sol

Synthesis of Biginelli compounds using cobalt hydrogen sulfate

Memarian, Hamid Reza,Ranjbar, Mahnaz

experimental part, p. 522 - 527 (2012/01/05)

Efficient synthesis of various 2-oxo(thioxo)-1,2,3,4-tetrahydropyrimidines containing acetyl, carboethoxy, carbomethoxy and carboxamide groups on 5-position of the M-substituted and ATL-unsubstituted heterocyclic ring was achieved using cobalt hydrogen su

Microwave-assisted high-speed parallel synthesis of 4-aryl-3,4- dihydropyrimidin-2(1H)-ones using a solventless biginelli condensation protocol

Kappe, C. Oliver,Kumar, Dalip,Varma, Rajender S.

, p. 1799 - 1803 (2007/10/03)

4-Aryl-3,4-dihydropyrimidin-2-(1H)-ones 4a-o are synthesized by a microwave-promoted, solvent-free modification of the Biginelli three- component cyclocondensation reaction. The novel method employs neat mixtures of β-ketoesters, aryl aldehydes, and urea

Synthesis and Reactions of "Biginelli-Compounds". Part I

Kappe, Christian Oliver,Roschger, Peter

, p. 55 - 64 (2007/10/02)

Various reactions of 2-oxo (or thioxo)-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid derivatives (Biginelli-compounds) were investigated.The site of methylation and acylation on 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester 1a and its 2-oxo derivative 9a was studied.The synthesis of pyrimidothiazines and thiazolopyrimidines was accomplished by condensation of 1a with 1,3- and 1,2-dielectrophiles.A Dimroth-like rearrangement yielding 6H-1,3-thiazines can be observed when 1a was treated with dimethylformamide and phosphorus oxychloride.The formation of indenopyrimidines can be achieved by intramolecular Friedl-Crafts acylation of 9a and 13, respectively.Finally a route for the preparation of 4,6-disubstituted-pyrimidine-5-carbonitriles is presented, starting with Biginelli-compound 25.

SYNTHESIS AND PROPERTIES OF DERIVATIVES OF 1,4-DIHYDROPYRIMIDINE-5-CARBOXYLIC ACID

Khanina, E. L.,Mutsenietse, D. Kh.,Kadysh, V. P.,Dubur, G. Ya.

, p. 990 - 994 (2007/10/02)

1,4-Dihydropyrimidines were synthesized by reductive dethionation of the corresponding 2-thiono-4-aryl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid derivatives, and some of their properties were studied.

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