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(S)-tert-butyl-(4-fluoro-3,5-dimethylphenyl)-4-methyl-3-(2-oxo-2,3-dihydro-1H-imidazol-1-yl)-6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-5(4H)-Chemicalbookcarboxylate;(S)-1-[5-Boc-2-(4-fluoro-3,5-dimethylp

Basic Information

  • CAS Number 2212021-61-7
  • Molecular Formula C23H28FN5O3
  • Molucular Weight 441.51
  • Package: 500g/bag, 1kg/bag, 5kg/bag, 10kg/bag, 25kg/drum, or as per customer requirements Storage: In a cool, dry, and well-ventilated environment, avoiding moisture, high temperature, and direct strong light, with a recommended storage temperature of 2-8℃。
  • Storage In a cool, dry, and well-ventilated environment, avoiding moisture, high temperature, and direct strong light, with a recommended storage temperature of 2-8℃.
  • Retest Period Two Years

product Description

This compound is a key chiral intermediate for the synthesis of Ogleniolone. (S)-1-[5-Boc-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2(3H)-one, also known as (S)-tert-butyl-(4-fluoro-3,5-dimethylphenyl)-4-methyl-3-(2-oxo-2,3-dihydro-1H-imidazol-1-yl)-6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate, has a CAS registry number of 2212021-61-7. It is a chiral heterocyclic compound with the molecular formula C₂₃H₂₈FN₅O₃ and a molecular weight of 441.50. Typically appearing as a white to off-white crystalline powder, it exhibits good stability under appropriate storage conditions, and its chiral center (S-configuration) plays a crucial role in its biological activity and application value.


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Its key physicochemical properties are as follows: it is soluble in polar organic solvents such as dichloromethane, methanol, and ethanol, slightly soluble in water, and insoluble in non-polar solvents like petroleum ether. This characteristic facilitates column chromatography or recrystallization purification in organic synthesis. The melting point is usually 155–160℃, and the purity of reagent-grade products is generally ≥98% (determined by HPLC), which can meet the requirements of pharmaceutical R&D and fine chemical synthesis. The tert-butoxycarbonyl group (Boc, -COOC(CH₃)₃) in the molecular structure ensures stability during intermediate reactions and can be deprotected under acidic conditions when needed.

As an important chiral pharmaceutical intermediate, this compound is mainly used in targeted drug R&D, especially in the synthesis of pyrazolo[4,3-c]pyridine derivatives with potential anti-tumor, anti-inflammatory, or kinase inhibitory activities. Its molecular structure integrates multiple active fragments: the 4-fluoro-3,5-dimethylphenyl group can optimize the lipophilicity and metabolic stability of target products, the imidazolinone structure can enhance the binding affinity to biological targets, and the chiral configuration ensures its specific interaction with biomacromolecules. It can also serve as a key building block for fine chemical synthesis and heterocyclic compound modification.

In terms of safety and storage, this compound is slightly irritating to the skin and respiratory tract. Protective gloves and goggles should be worn during operation, and the contacted area should be rinsed immediately with plenty of water after contact. It is incompatible with strong oxidants and strong acids (to avoid cleavage of the tert-butoxycarbonyl group). It should be sealed in a light-proof container and stored in a cool (2–8℃), dry, and well-ventilated place, away from moisture and high temperatures to prevent structural degradation or racemization.

product Specification

Item

Unit

Specification

Appearance

 

 white to off-white crystalline powder  

Solubility

 

 soluble in dichloromethane, methanol, and ethanol, slightly soluble in water, and insoluble in petroleum ether.

Identification

 

infrared spectroscopy + HPLC retention time

Other impurities

%

≤0.1 

Related Substances - Total Impurities

%

≤2.0

Main peak purity

%

≥98.0

Storage

 

In a cool, dry, and well-ventilated environment, avoiding moisture, high temperature, and direct strong light, with a recommended storage temperature of 2-8℃

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