330785-84-7

Basic information

• Product Name: 5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)- 1-pyrrolidinyl]-
• Synonyms: 5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)- 1-pyrrolidinyl]-;(S)-4-(3-chloro-4-MethoxybenzylaMino)-5-carboxy-2-(2-hydroxyMethyl-1-pyrrolidinyl)pyriMidine;4-[[(3-Chloro-4-methoxyphenyl)methyl]amino]-2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-5-pyrimidinecarboxylic acid;(S)-4-((3-Chloro-4-Methoxybenzyl)aMino)-2-(2-(hydroxyMethyl)pyrrolidin-1-yl)pyriMidine-5-carboxylic acid;4-(3-chloro-4-methoxybenzylamino) -2-((S)-2-(hydroxymethyl) pyrrolidin-1-yl)pyrimidine-5- carboxylic acid;(S)-4-(3-Chloro-4-Methoxybenzyl)Amino)-2-(2-(Hydroxymethyl)Pyrolidin-1-Yl)Pyrimidine-5-Carboxylic Acid
• CAS NO: 330785-84-7
• Molecular Formula: C₁₈H₂₁ClN₄O₄
• Molecular Weight: 392.83674
• EINECS: 1308068-626-2
• Mol File: 330785-84-7.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 647.6±65.0 °C(Predicted)
• Appearance: /
• Density: 1.415±0.06 g/cm3 (20 ºC 760 Torr)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility: DMSO (Slightly), Methanol (Slightly, Heated)
• PKA: 1.80±0.36(Predicted)
• CAS DataBase Reference: 5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)- 1-pyrrolidinyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: 5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)- 1-pyrrolidinyl]-(330785-84-7)
• EPA Substance Registry System: 5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)- 1-pyrrolidinyl]-(330785-84-7)

Safety Data

• Hazardous Substances Data: 330785-84-7(Hazardous Substances Data)

Usage

Uses

(S)-4-((3-Chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)pyrimidine-5-carboxylic Acid is used in the preparation of an Avanafil (A794670) intermediate. Avanafil is a phosphodiesterase (PDE5) inhibitor, used to treat erectile dysfunction.

Upstream product

• 41965-95-1 (3-chloro-4-methoxyphenyl)methylamine hydrogen chloride 
• 330785-82-5 4-(3-chloro-4-methoxybenzylamino)-5-ethoxycarbonyl-2-methylsulfinylpyrimidine 
• 53554-29-3 ethyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate 
• 330785-99-4 2-hydroxy-4-(3-chloro-4-methoxybenzylamino)-5-ethoxycarbonylpyrimidine 
• 372117-76-5 2-methylsulfonyl-5-ethoxycarbonyl-4-(3-chloro-4-methoxybenzylamino)pyrimidine 
• 115514-77-7 (3-chloro-4-methoxyphenyl)methanamine 
• 330786-00-0 2-chloro-4-(3-chloro-4-methoxybenzylamino)-5-ethoxycarbonylpyrimidine 
• 330785-81-4 ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate 
• 5909-24-0 4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester 
• 1638497-22-9 ethyl (S)-4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)tetrahydropyrrole-1-yl)-5-pyrimidinecarboxylate 

Downstream Products

• 330784-47-9 avanafil 

Relevant articles and documents

A kind of avanafil impurity D and synthesis method and application thereof

The present invention provides a new aphranarfil impurity and synthesis method thereof, by synthesizing and characterizing the impurity, the structure of the impurity is determined, the drug impurity profile of avanafil is perfected, the resulting product is of high purity, can be used as a control for drug quality control research.

Method of preparing medical compound stendra

The invention discloses a method of preparing a medical compound stendra and belongs to the technical field of medical compounds. The key point of the technical scheme is as follows: the synthetic route of the method of preparing the medical compound stendra is as follows: a formula as shown in the description. The method has the advantages of being high in yield, low in cost, economical and environment-friendly, suitable for industrialization, high in product impurity and the like, and is a synthetic method which has industrial production value.

Method for preparing avanafil raw material medicine

The invention relates to the technical field of medicine synthesis, and discloses a method for preparing an avanafil raw material medicine. The method comprises the following steps: taking a midbody -MI as an initial raw material, and performing an oxidation reaction, a condensation reaction with L-proline, a hydrolysis reaction and a dehydration condensation reaction in sequence, thereby obtaining avanafil. Aiming at the problems that a monitoring and analysis method of a conventional avanafil preparation method is not available, the invention provides a set of effective monitoring and detection method, the quality of middle products and final products can be effectively controlled, meanwhile due to adjusted purification methods of different steps, the purity of the middle products and the final products can be at a relatively high level, and the method is particularly applicable to industrial large-scale production.