5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)- 1-pyrrolidinyl]-

5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)- 1-pyrrolidinyl]- Structure
CAS No.
330785-84-7
Chemical Name:
5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)- 1-pyrrolidinyl]-
Synonyms
RSYY(Lifitegrast)-6;(S)-4-(3-Chloro-4-methoxybenzylamino)-5-carboxy-2-(2-hydroxy...;(S)-4-(3-chloro-4-MethoxybenzylaMino)-5-carboxy-2-(2-hydroxyMethyl-1-pyrrolidinyl)pyriMidine;5-PYRIMIDINECARBOXYLIC ACID, 4-[[(3-CHLORO-4-METHOXYPHENYL)METHYL]AMINO]-2-[(2S)-2-(HYDROXYMETHYL)-;(S)-4-(3-Chloro-4-Methoxybenzyl)Amino)-2-(2-(Hydroxymethyl)Pyrolidin-1-Yl)Pyrimidine-5-Carboxylic 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;4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid;4-[[(3-Chloro-4-methoxyphenyl)methyl]amino]-2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-5-pyrimidinecarboxylic acid;5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)- 1-pyrrolidinyl]-
CBNumber:
CB22638447
Molecular Formula:
C18H21ClN4O4
Molecular Weight:
392.84
MOL File:
330785-84-7.mol
MSDS File:
SDS
Modify Date:
2023/4/23 13:52:06

5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)- 1-pyrrolidinyl]- Properties

Melting point >176oC (dec.)
Boiling point 647.6±65.0 °C(Predicted)
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)
form Solid
pka 1.80±0.36(Predicted)
color White

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)- 1-pyrrolidinyl]- Chemical Properties,Uses,Production

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.

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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 (S)-4-(3-Chloro-4-methoxybenzylamino)-5-carboxy-2-(2-hydroxy... 5-PYRIMIDINECARBOXYLIC ACID, 4-[[(3-CHLORO-4-METHOXYPHENYL)METHYL]AMINO]-2-[(2S)-2-(HYDROXYMETHYL)- 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-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 4-(3-chloro-4-methoxybenzylamino) -2-((S)-2-(hydroxymethyl) pyrrolidin-1-yl)pyrimidine-5- carboxylic acid RSYY(Lifitegrast)-6 330785-84-7 C18H21ClN4O4