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1-METHYL-5-NITRO-2(1H)-PYRIMIDINONE is a nitro-substituted pyrimidinone derivative with the molecular formula C5H5N3O3. It is a white to yellow crystalline solid that is soluble in water and organic solvents. This chemical compound is primarily used as an intermediate in the synthesis of pharmaceuticals and agricultural chemicals.

17758-39-3

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17758-39-3 Usage

Uses

Used in Pharmaceutical Industry:
1-METHYL-5-NITRO-2(1H)-PYRIMIDINONE is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Agricultural Chemical Industry:
1-METHYL-5-NITRO-2(1H)-PYRIMIDINONE is also used as an intermediate in the production of agricultural chemicals, such as pesticides and herbicides. Its versatility in chemical reactions enables the creation of effective compounds for crop protection and management.
Used in Organic Synthesis:
1-METHYL-5-NITRO-2(1H)-PYRIMIDINONE is utilized in organic synthesis for the production of a wide range of compounds. Its solubility in both water and organic solvents makes it a valuable building block for the synthesis of various organic molecules.
Safety Precautions:
It is important to handle 1-METHYL-5-NITRO-2(1H)-PYRIMIDINONE with caution, as it may be harmful if ingested, inhaled, or absorbed through the skin. It can cause irritation to the eyes, skin, and respiratory system. Proper safety measures, including the use of personal protective equipment and proper storage conditions, should be taken to minimize risks associated with this chemical compound.

Check Digit Verification of cas no

The CAS Registry Mumber 17758-39-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,7,7,5 and 8 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 17758-39:
(7*1)+(6*7)+(5*7)+(4*5)+(3*8)+(2*3)+(1*9)=143
143 % 10 = 3
So 17758-39-3 is a valid CAS Registry Number.
InChI:InChI=1/C5H5N3O3/c1-7-3-4(8(10)11)2-6-5(7)9/h2-3H,1H3

17758-39-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-methyl-5-nitropyrimidin-2-one

1.2 Other means of identification

Product number -
Other names 1-METHYL-5-NITRO-2(1H)-PYRIMIDINONE

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:17758-39-3 SDS

17758-39-3Relevant academic research and scientific papers

Synthesis and intramolecular ring transformation of: N, N ′-dialkylated 2,6,9-triazabicyclo[3.3.1]nonadienes

Ito, Akitaka,Nakaike, Yumi,Nishiwaki, Nagatoshi,Yokoyama, Soichi,Yoshida, Yusuke

, p. 9109 - 9116 (2020/11/27)

The first and facile synthesis of N,N′-dialkylated 2,6,9-triazabicyclo[3.3.1]nonadienes was achieved by the [4 + 4] self-condensation of β-formyl-β-nitroenamine in the presence of ammonium acetate. The 2,6- A nd 2,9-dialkylated products were found to be interconvertible when dissolved in a solvent. This isomerization proceeds through intramolecular ring transformation via a common intermediate under equilibrium. This journal is

New synthetic equivalent of nitromalonaldehyde treatable in organic media

Nishiwaki, Nagatoshi,Ogihara, Takuma,Takami, Toshiko,Tamura, Mina,Ariga, Masahiro

, p. 8382 - 8386 (2007/10/03)

β-Nitroenamines having a formyl group at the β-position behave as the synthetic equivalent of unstable nitromalonaldehyde, which is a useful synthon for syntheses of versatile nitro compounds. High solubility of the nitroenamines into general organic solv

Nitropyrimidinones; synthetic equivalents of diformylamine and nitromalonaldehyde

Nishiwaki,Tohda,Ariga

, p. 1277 - 1280 (2007/10/03)

Reactions of two isomeric nitropyrimidinones with bidentate enolate anions were studied. When 3-methyl-5-nitropyrimidin-4(3H)-one (1) was employed, ring transformation proceeded to give pyridin-4(1H)-ones 3 functionalized at the 3- or 5-positions. This pyrimidin-4-one 1 behaved as an activated diformylamine HN(CHO)2. 1-Methyl-5-nitropyrimidin-2(1H)-one (2) afforded polyfunctionalized bicyclo[3.3.1]nonene derivatives 7 and 8 and/or p-nitrophenol derivatives 9. In this case, pyrimidin-2-one 2 acted as the synthetic equivalent of unstable O2NCH(CHO)2. These two nitropyrimidinones are valuable intermediates for the synthesis of polyfunctionalized compounds.

Facile Synthesis of Functionalized Nitroenamines. III.1,2 Aminolysis of 1-Methyl-5-nitropyrimidin-2(1H)-one

Nishiwaki, Nagatoshi,Tohda, Yasuo,Ariga, Masahiro

, p. 1997 - 2002 (2007/10/03)

The aminolysis of 1-methyl-5-nitropyrimidin-2(1H)-one furnished diimines of nitromalonaldehyde in good yields. One of the imino groups of the diimines was readily hydrolyzed on silica gel to give nitroenamines possessing a formyl group. These reagents beh

Pyrimidines. 18. A Novel Pyrimidine to Benzene Ring Transformation Reaction. Conversion of 5-Nitro-2(1H)-pyrimidinone into p-Nitrophenol Derivatives

Fox, Jack J.,Su, Tsann-Long,Stempel, Lloyd M.,Watanabe, Kyoichi A.

, p. 1081 - 1084 (2007/10/02)

5-Nitro-2(1H)-pyrimidinone (1) underwent acid-catalyzed condensation with acetone and ethyl acetoacetate to form 4-ketonyl-5-nitropyrimidines 2 and 10 which were readily converted into p-nitrophenol (3) and 5-nitrosalicylic acid (11), respectively, by NaO

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