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

Manufacturer: Hangzhou Royalchem Co.,LTD.

Website:   www.cnroyalchem.com

【 Providing a complete set of intermediates and impurities for Orforglipron 】

【 Providing a complete set of intermediates and impurities for Orforglipron 】

【 Providing a complete set of intermediates and impurities for Orforglipron 】

Here is a detailed product description for  tert-butyl (S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-3-(2-oxo-2,3-dihydro-1H-imidazol-1-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate  (CAS # 2212021-61-7):

Product Identification

Chemical Name:  

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

Synonyms:  (S)-N-Boc-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine[†]; Compound CID 131723378†; Other research codes may exist.

CAS Registry Number:  2212021-61-7

Molecular Formula:  C₂₆H₃₂FN₅O₃

Molecular Weight:  489.57 g/mol

Canonical SMILES:  CC1=CC(=CC(=C1F)C)C2N(CC3=C(N2C)C(=NN3C)C)N4C(=O)NC=C4C(=O)OC(C)(C)C

InChI:  InChI=1S/C26H32FN5O3/c1-15-11-17(27)13-19(12-15)32-20-10-14-31(24(32)30(4)29-23(20)28-9-8-25(33)28)26(34)35-22(2,3)5/h8-9,11-13,20H,10,14H2,1-5H3/t20-/m0/s1

InChIKey:  WTPQVWUWFJVPRI-FQEVSTJZSA-N

Structural Features & Properties

Core Scaffold:  Contains a fused, partially saturated  pyrazolo[4,3-c]pyridine  bicyclic system (2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine).

Chirality:  Features a single defined stereocenter at the bridgehead carbon (position 2 of the pyrazolopyridine ring), specified as  (S)-configuration . This is critical for biological activity if used pharmacologically.

Substituents:

Position 2:  (4-Fluoro-3,5-dimethylphenyl) group - an electron-deficient, lipophilic aromatic ring with steric bulk.

Position 3:  (2-Oxo-2,3-dihydro-1H-imidazol-1-yl) group - a cyclic urea derivative (imidazolinone) capable of acting as a hydrogen bond donor/acceptor.

Position 4:  Methyl group (-CH₃).

Position 5:   tert -Butyloxycarbonyl (Boc) protecting group (-C(=O)OC(CH₃)₃) attached to the ring nitrogen. This group masks the amine functionality and modulates solubility/stability.

Solubility:  Expected to have  low solubility in water  due to lipophilic substituents (aryl, Boc, methyl groups). Likely soluble in common organic solvents like DMSO, DMF, dichloromethane (DCM), chloroform, methanol, ethanol, acetonitrile, and ethyl acetate.  Actual solubility should be experimentally determined.

Stability:

Moisture Sensitivity:  Generally stable, but sensitive to prolonged exposure to moisture/humidity over time.

Acid Sensitivity:  The  Boc group is readily cleaved by strong acids  (e.g., TFA, HCl in organic solvents). Avoid acidic conditions unless deprotection is intended.

Base Stability:  Relatively stable to mild bases. The imidazolinone moiety may show sensitivity under strong basic conditions.

Temperature:  Store refrigerated or frozen. May degrade at elevated temperatures.

Light:  Likely stable under normal laboratory lighting, but prolonged exposure to strong UV light should be avoided.

Oxidation:  Standard precautions apply; avoid strong oxidizing agents.

Thermal Stability:  Decomposition temperature unknown; avoid exposure to excessive heat.

Handling & Safety (GENERAL - Specific SDS Required!)

Hazard Statements (Potential - Consult SDS):  May be harmful if swallowed (H302), may cause skin/eye irritation (H315/H319), may cause respiratory irritation (H335).  Specific hazards depend on the compound and impurities.

Precautionary Measures (Pxxx):  Wear protective gloves/protective clothing/eye protection/face protection (P280). Handle in a well-ventilated place (P271). Wash thoroughly after handling (P264). Avoid breathing dust/fume/gas/mist/vapours/spray (P261). IF exposed or concerned: Get medical advice/attention (P312/P305+P351+P338). Store locked up (P405). Dispose of contents/container per regulations (P501).

Storage:  Store in a  cool, dry place , tightly sealed under an inert atmosphere (e.g., nitrogen or argon) away from light and moisture. Recommended storage temperature is often  -20°C  for long-term stability. Desiccate (use desiccant packs).

Handling:  Use only in a  well-ventilated fume hood . Minimize dust generation and inhalation. Avoid contact with skin, eyes, and clothing. Use appropriate personal protective equipment (PPE): lab coat, safety glasses, chemical-resistant gloves (e.g., nitrile).

Applications

Primary Use:  This compound is a  specialty synthetic intermediate , primarily used in  medicinal chemistry research  and  drug discovery programs .

Target:  Likely intended for the synthesis of more complex molecules targeting  kinases ,  GPCRs , or  other enzymes/proteins  where the pyrazolopyridine scaffold is pharmacologically relevant. The specific substituents (fluoro-dimethylphenyl, imidazolinone, chiral center) suggest potential targeting of allosteric sites or specific protein families requiring shape complementarity and H-bonding.

Functionality:  The Boc group provides a protected secondary amine, crucial for subsequent synthetic steps (e.g., peptide coupling, deprotection/functionalization). The chiral center allows for enantioselective synthesis or study of stereospecific interactions. The imidazolinone is a key pharmacophore.

Status:  It is  not an active pharmaceutical ingredient (API)  or an approved drug. Its relevance is in preclinical research as a building block.