54443-89-9 Usage
Description
1,3-DI-N-BUTYL-2-THIOBARBITURIC ACID, with the CAS number 6255-18-9, is a chemical compound categorized under barbituric acids. It is recognized for its white or off-white crystalline solid form, which is insoluble in water but readily soluble in organic solvents. 1,3-DI-N-BUTYL-2-THIOBARBITURIC ACID is pivotal in the synthesis of pharmaceuticals and serves as an intermediate in the production of other chemicals. Its potential applications in medicine are vast, including roles as an anticonvulsant and sedative, and it is instrumental in the research and development of novel drugs. However, due to its potential health and environmental risks, careful handling is essential.
Uses
Used in Pharmaceutical Synthesis:
1,3-DI-N-BUTYL-2-THIOBARBITURIC ACID is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new medications.
Used in Chemical Production:
1,3-DI-N-BUTYL-2-THIOBARBITURIC ACID is utilized as an intermediate in the production of other chemicals, highlighting its versatility in the chemical industry.
Used in Medical Applications:
1,3-DI-N-BUTYL-2-THIOBARBITURIC ACID is used as an anticonvulsant for its potential to help control seizures and as a sedative to induce calmness or sleep in medical settings.
Used in Research and Development:
In the field of drug development, 1,3-DI-N-BUTYL-2-THIOBARBITURIC ACID is used as a research compound to explore its properties and potential uses in creating new therapeutic agents.
Used in Environmental and Health Risk Management:
While not an application in the traditional sense, the compound's potential risks necessitate its use in the development of safety protocols and environmental management strategies to mitigate any adverse effects associated with its handling and disposal.
Check Digit Verification of cas no
The CAS Registry Mumber 54443-89-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,4,4,4 and 3 respectively; the second part has 2 digits, 8 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 54443-89:
(7*5)+(6*4)+(5*4)+(4*4)+(3*3)+(2*8)+(1*9)=129
129 % 10 = 9
So 54443-89-9 is a valid CAS Registry Number.
InChI:InChI=1/C12H20N2O2S/c1-3-5-7-13-10(15)9-11(16)14(12(13)17)8-6-4-2/h3-9H2,1-2H3
54443-89-9Relevant articles and documents
Malonic Acid Derivatives on Duty as Electron-Withdrawing Units in Push–Pull Molecules
Klikar, Milan,Jelínková, Veronika,R??i?ková, Zdeňka,Mikysek, Tomá?,Pytela, Old?ich,Ludwig, Miroslav,Bure?, Filip
, p. 2764 - 2779 (2017/05/29)
Based on the 2-(N-piperidinyl)thiophene central donor, 32 model push–pull molecules with systematically varied malonic acid-derived peripheral acceptors have been prepared. Further property tuning has been achieved by modifying the π-linker and the structural arrangement (linear vs. quadrupolar D–π–A systems). Malonic acid derivatives such as cyanoacetic acid, malondinitrile, diethyl malonate, Meldrum′s acid, and N,N′-dibutyl(thio)barbituric acid as well as 1,3-diketo analogues dimedone and indan-1,3-dione were employed as acceptor moieties. Knoevenagel condensation with four thiophene aldehydes afforded the target chromophores in satisfactory yields. The electron-withdrawing abilities of malonic acid acceptors were examined both by experiment including X-ray analysis, differential scanning calorimetry, electrochemistry, and UV/Vis absorption spectroscopy, and by DFT calculations. Details of the structure–property relationships have been elucidated. According to the increasing electron-withdrawing ability, the widely used malonic acid acceptor units can be ordered: diethyl malonate ≤ cyanoacetic acid malondinitrile Meldrum's acid dimedone ≤ N,N′-dibutylbarbituric acid indan-1,3-dione ≤ N,N′-dibutylthiobarbituric acid.
