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

General Description

N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-2-chloro-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is a chemical compound with a complex and specific molecular structure. It contains a benzyl group, a methylpiperidinyl group, and a pyrrolopyrimidine ring, as well as 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 has potential pharmaceutical applications as it may possess biological activity due to its diverse chemical structure. Its synthesis and characterization can provide insights into the structure-activity relationships of similar chemical compounds and could lead to the development of new drugs or research tools with useful pharmacological properties.

Upstream product

• 90213-66-4 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine 
• 1062580-52-2 N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methylamine dihydrochloride 
• 1228879-37-5 cis-1-benzyl-4-methyl-3-methylaminopiperidine hydrochloride 
• 39929-79-8 pyrrolo<2,3-d>pyrimidin-2,4-dione 
• 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 

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.

Synthesis method of tofacitinib citrate

The invention relates to the technical field of medicinal chemistry, and discloses a synthesis method of tofacitinib citrate. The method comprises 1) preparing 2,4-dihydroxy pyrrolopyrimidine: adding4-aminouracil and anhydrous sodium acetate into water (in a molar ratio of (1: 3)-(1: 5)), heating to 60-80 DEG C, slowly adding a 2-chloroacetaldehyde aqueous solution having a concentration of 40%,stirring to react for 4-6 hours, cooling to room temperature, filtering, washing a solid with water, and drying under reduced pressure to obtain 2,4-dihydroxy pyrrolopyrimidine. According to the synthesis method of tofacitinib citrate, through two times of impurity removal, the purity of the produced tofacitinib citrate finished product is higher, subsequent purification is not needed, the synthesis time is short, the process is simple, the method is suitable for factory production, the production time of the tofacitinib citrate finished product can be saved, the production efficiency of the tofacitinib citrate finished product is improved, and the tofacitinib citrate is more convenient to use.

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.