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734076-02-9

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  • 2,4,6(1H,3H,5H)-PYRIMIDINETRIONE,1,3-DIMETHYL-5-(1,2,3,4-TETRAHYDRO-1,3-DIMETHYL-2,4-DIOXO-7H-CYCLOHEPTA[4,5]FURO[2,3-D]PYRIMIDIN-7-YLIDENE)-

    Cas No: 734076-02-9

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734076-02-9 Usage

Molecular Structure

The compound consists of a fused pyrimidinetrione and cycloheptapyrimidine ring system, which gives it a unique structure.

Pyrimidinetrione Core

The central part of the molecule is a pyrimidinetrione, which is a six-membered heterocyclic ring with three carbon atoms, two nitrogen atoms, and one oxygen atom.

Cycloheptapyrimidine Ring System

The compound also features a cycloheptapyrimidine ring system, which is a seven-membered ring with alternating carbon and nitrogen atoms.

Potential Applications

Due to its unique structure and properties, the compound may have potential applications in pharmaceuticals, organic synthesis, or material science.

Specialized Research

Further research and exploration of this compound could unveil its potential uses and benefits in various fields, as its complex structure may lead to new discoveries and applications.

Stability

The compound's stability may be influenced by the presence of the pyrimidinetrione core, methyl groups, and the cycloheptapyrimidine ring system, which could affect its reactivity and potential applications.

Synthesis Challenges

The synthesis of this complex compound may be challenging due to the presence of multiple functional groups and the need for precise control over the reaction conditions to achieve the desired product.

Characterization

The compound's structure and properties would need to be thoroughly characterized using techniques such as NMR, IR, and mass spectrometry to confirm its identity and understand its properties better.

Check Digit Verification of cas no

The CAS Registry Mumber 734076-02-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 7,3,4,0,7 and 6 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 734076-02:
(8*7)+(7*3)+(6*4)+(5*0)+(4*7)+(3*6)+(2*0)+(1*2)=149
149 % 10 = 9
So 734076-02-9 is a valid CAS Registry Number.

734076-02-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 7,9-dimethyl-3-[1',3'-dimethyl-2'(1'H),4'(3'H),6'(5'H)-trioxopyrimidin-5'-ylidene]cyclohepta[b]pyrimido[5,4-d]furan-8(7H),10(9H)-dione

1.2 Other means of identification

Product number -
Other names 5-(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-10-oxa-1,3-diaza-benzo[a]azulen-7-ylidene)-1,3-dimethyl-pyrimidine-2,4,6-trione

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:734076-02-9 SDS

734076-02-9Downstream Products

734076-02-9Relevant articles and documents

Novel synthesis and oxidizing ability of tropylium ions annulated with two 2,4-dimethylfuro[2,3-d]pyrimidine-1(2H),3(4H)-diones

Naya, Shin-Ichi,Tokunaka, Takeshi,Nitta, Makoto

, p. 4732 - 4740 (2004)

Convenient preparation of novel tropylium ions annulated with two 2,4-dimethylfuro[2,3-d]pyrimidine-1(2H),3(4H)-diones, 12a+· BF4- and 12b+·BF4 -, consists of a reaction of 2-methoxytropone with dimethylbarbituric acid to give 7,9-dimethyl-3-[1′,3′-dimethyl-2′(1′H), 4′(3′H),6′(5′H)-trioxopyrimidin-5′-ylidene] cyclohepta[b]pyrimido[5,4-d]furan-8(7H),10(9H)-dione 8 and the following oxidative cyclization by using DDQ or photoirradiation under aerobic conditions. On the basis of the MO calculations, the selectivity of two types of oxidative cyclization reactions of 8 was rationalized. X-ray crystal analyses and MO calculations were carried out to clarify the structural characteristics of 12a+·BF4- and 12b+· BF4-. The stability of cations 12a+ and 12b+ is expressed by the pKR+ values which were determined spectrophotometrically as 8.8 and 8.6. The electrochemical reduction of 12a+ and 12b+ exhibited reduction potential at -0.63 and -0.62 (V vs Ag/AgNO3), respectively. Reactions of 12 a+·BF4- and 12b+· BF4- with some nucleophiles, hydride and diethylamine, were carried out to clarify that the reactivity of 12a+· BF4- and 12b+·BF4- was substantially dependent on the annulating position. The oxidizing ability of 12a+·BF4- and 12b+-BF 4- toward alcohols and amines in the autorecycling process was demonstrated as well.

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