923036-25-3

Basic information

• Product Name: N-((3R,4R)-1-benzyl-4-Methylpiperidin-3-yl)-2-chloro-N-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine
• Synonyms: N-((3R,4R)-1-benzyl-4-Methylpiperidin-3-yl)-2-chloro-N-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine;7H-Pyrrolo[2,3-d]pyriMidin-4-aMine, 2-chloro-N-Methyl-N-[(3R,4R)-4-Methyl-1-(phenylMethyl)-3-piperidinyl]-
• CAS NO: 923036-25-3
• Molecular Formula: C20H24ClN5
• Molecular Weight: 369.89106
• Mol File: 923036-25-3.mol
• Article Data: 8

Chemical Properties

• Appearance: /
• Density: 1.274±0.06 g/cm3(Predicted)
• PKA: 12.46±0.50(Predicted)
• CAS DataBase Reference: N-((3R,4R)-1-benzyl-4-Methylpiperidin-3-yl)-2-chloro-N-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine(CAS DataBase Reference)
• NIST Chemistry Reference: N-((3R,4R)-1-benzyl-4-Methylpiperidin-3-yl)-2-chloro-N-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine(923036-25-3)
• EPA Substance Registry System: N-((3R,4R)-1-benzyl-4-Methylpiperidin-3-yl)-2-chloro-N-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine(923036-25-3)

Safety Data

• Hazardous Substances Data: 923036-25-3(Hazardous Substances Data)

Usage

Description

N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-2-chloro-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is a complex chemical compound with a unique molecular structure. It features a benzyl group, a methylpiperidinyl group, a pyrrolopyrimidine ring, and both a chlorine and a methyl group. N-((3R,4R)-1-benzyl-4-Methylpiperidin-3-yl)-2-chloro-N-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine holds potential pharmaceutical applications due to its diverse chemical structure, which may confer biological activity. The synthesis and characterization of this compound can offer valuable insights into the structure-activity relationships of similar compounds, potentially leading to the development of new drugs or research tools with beneficial pharmacological properties.

Uses

Used in Pharmaceutical Industry:
N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-2-chloro-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is used as a potential pharmaceutical agent for the development of new drugs or research tools. Its complex molecular structure suggests that it may possess biological activity, which can be harnessed for therapeutic purposes. The exploration of its properties and interactions with biological targets can lead to advancements in medicinal chemistry and drug discovery.

Upstream product

• 90213-66-4 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine 
• 1039738-27-6 1-benzyl-4-methyl-3-amino piperidine 
• 3430-27-1 3-amino-4-methylpyridine 
• 1354621-59-2 trans-(1-benzyl-4-methylpiperidin-3-yl)methylamine 
• 100-39-0 benzyl bromide 
• 1206824-67-0 methyl (1-benzyl-4-methylpiperidin-3-yl)carbamate hydrochloride 
• 39929-79-8 pyrrolo<2,3-d>pyrimidin-2,4-dione 
• 1228879-37-5 cis-1-benzyl-4-methyl-3-methylaminopiperidine hydrochloride 
• 1062580-52-2 N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methylamine dihydrochloride 

Relevant articles and documents

Synthesis method of tofacitinib citrate diastereomer impurities

The invention discloses a synthesis method of tofacitinib citrate diastereomer impurities, relates to the technical field of drug organic synthesis, and relates to 3 - amino -4 - methylpyridine as a starting material and a quaternary ammonium salt. Raw materials of the whole synthetic route are easily available, the reaction conditions are mild, the post-treatment separation and purification operation is simple and feasible, and the preparation method is good in repeatability.

Preparation method of tofacitinib citrate

The invention relates to the field of medicine synthesis, and particularly discloses a preparation method of tofacitinib citrate. The preparation method comprises the following steps: S1, dissolving acompound SM1, a compound SM2 and an alkaline reagent in a solvent A, and performing a reaction to obtain a first compound; S2, taking and mixing a catalyst, a solvent B and the first compound, introducing hydrogen, and carrying out a catalytic hydrogenation reaction to obtain a second compound; S3, taking and mixing active anhydride, a solvent C and the second compound, and carrying out an acylation reaction to obtain a third compound, wherein R in the active anhydride comprises an alkyl group or an aryl group; and S4, taking and mixing citric acid, a solvent D and the third compound, and carrying out a salt-forming reaction to obtain a compound T that is the tofacitinib citrate. The preparation method has the advantages of easily available initial raw materials, no use of complex or toxic compounds, short synthesis process route, simple and convenient reaction operation of each step, high total yield and high productivity, and is suitable for large-scale industrial production.

Preparation method of tofacitinib key intermediate

The invention discloses a preparation method of a tofacitinib key intermediate with a chemical name as (3R, 4R)-methyl-(4-methyl-piperidine-3-yl)-(7H-pyridine[2,3-d]pyridine-4-yl)amine and the CAS number of 477600-74-1. The preparation method is characterized in that ammonium formate or hydrazine hydrate is used as a hydrogen donator, phenyl and chlorine of the 2-chloro-4-{(methyl)[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine are removed under the catalysis of catalysts such as palladium/carbon hydroxide to generate the intermediate. By adopting the preparation method, no autoclave is used. The preparation method has the advantages of mild reaction conditions, higher safety, high reaction rate, fewer process byproducts, simple operation and higher productivity, can effectively solve the problem that more impurities exist in the preparation process, and facilitates the industrialized production.