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17043-94-6

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17043-94-6 Usage

General Description

PYRIMIDINE N-OXIDE is a chemical compound with the molecular formula C4H4N2O. It is a white crystalline solid that is 97% pure. Pyrimidine N-oxide is commonly used in the pharmaceutical industry for the synthesis of various drugs and bioactive compounds. It also has potential applications in organic synthesis, as it can serve as a precursor for the preparation of various nitrogen-containing heterocycles. This chemical is stable under normal conditions and is not considered to be highly hazardous, but like all chemicals, it should be handled with care and in accordance with proper safety procedures.

Check Digit Verification of cas no

The CAS Registry Mumber 17043-94-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,7,0,4 and 3 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 17043-94:
(7*1)+(6*7)+(5*0)+(4*4)+(3*3)+(2*9)+(1*4)=96
96 % 10 = 6
So 17043-94-6 is a valid CAS Registry Number.
InChI:InChI=1/C4H4N2O/c7-6-3-1-2-5-4-6/h1-4H

17043-94-6 Well-known Company Product Price

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  • (Code)Product description
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  • Aldrich

  • (681350)  PyrimidineN-oxide  97%

  • 17043-94-6

  • 681350-1G

  • 1,787.76CNY

  • Detail
  • Aldrich

  • (681350)  PyrimidineN-oxide  97%

  • 17043-94-6

  • 681350-5G

  • 7,265.70CNY

  • Detail

17043-94-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-oxidopyrimidin-1-ium

1.2 Other means of identification

Product number -
Other names oxypyrimidine

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:17043-94-6 SDS

17043-94-6Upstream product

17043-94-6Relevant articles and documents

Hydroheteroarylation of Unactivated Alkenes Using N-Methoxyheteroarenium Salts

Ma, Xiaoshen,Dang, Hester,Rose, John A.,Rablen, Paul,Herzon, Seth B.

supporting information, p. 5998 - 6007 (2017/05/04)

We report the first reductive coupling of unactivated alkenes with N-methoxy pyridazinium, imidazolium, quinolinium, and isoquinolinium salts under hydrogen atom transfer (HAT) conditions, and an expanded scope for the coupling of alkenes with N-methoxy pyridinium salts. N-Methoxy pyridazinium, imidazolium, quinolinium, and isoquinolinium salts are accessible in 1-2 steps from the commercial arenes or arene N-oxides (25-99%). N-Methoxy imidazolium salts are accessible in three steps from commercial amines (50-85%). In total 36 discrete methoxyheteroarenium salts bearing electron-donating, electron-withdrawing, alkyl, aryl, halogen, and haloalkyl substituents were prepared (several in multigram quantities) and coupled with 38 different alkenes. The transformations proceed under neutral conditions at ambient temperature, provide monoalkylation products exclusively, and form a single alkene addition regioisomer. Preparatively useful and complementary site selectivities in the addition of secondary and tertiary radicals to pyidinium salts are documented: harder secondary radicals favor C-2 addition (2->10:1), while softer tertiary radicals favor bond formation to C-4 (4.7->29:1). A diene possessing a 1,2-disubstituted and 2,2-disubstituted alkene undergoes hydropyridylation at the latter exclusively (61%) suggesting useful site selectivities can be obtained in polyene substrates. The methoxypyridinium salts can also be employed in dehydrogenative arylation, borono-Minisci, and tandem arylation processes. Mechanistic studies support the involvement of a radical process.

Experimental and theoretical molecular and electronic structures of the N-oxides of pyridazine, pyrimidine and pyrazine

Aitken, R. Alan,Fodi, Bernd,Palmer, Michael H.,Slawin, Alexandra M.Z.,Yang, Jing

experimental part, p. 5845 - 5851 (2012/09/08)

The structures of pyridazine N-oxide, pyrimidine N-oxide and pyrazine N-oxide have been determined by X-ray diffraction for the first time. Comparison with theoretical predictions of the equilibrium structures using the B3LYP method together with a cc-pVTZ basis set, show close agreement with the structural parameters observed, and experimental dipole moments, which suggests that the charge distribution is realistic. An 'atoms in molecules' (AIM) analysis of the computed wave-functions shows total electron densities rather different from the classical picture of a dative bond, whereas the same wave-functions subjected to Mulliken analysis show a more conventional view of the electron distribution. This latter procedure allows a bond dipole analysis of the N-oxide charge distribution.

Use of N-oxide compounds in coupling reactions

-

Page/Page column 18, (2008/12/05)

Metal-catalyzed coupling process comprising reacting a compound of general formula 1 with a compound A-X, to obtain a compound of general formula 2, which may further be converted to a compound of general formula 3

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