CAS 330785-81-4

Ethyl 4-[[(3-chloro-4-methoxyphenyl)methyl]amino]-2-(methylthio)-5-pyrimidinecarboxylate

Description:

Ethyl 4-[[(3-chloro-4-methoxyphenyl)methyl]amino]-2-(methylthio)-5-pyrimidinecarboxylate is a chemical compound characterized by its complex structure, which includes a pyrimidine ring, an ethyl ester group, and a methoxy-substituted phenyl moiety. This compound features a chloro group and a methylthio group, contributing to its unique reactivity and potential biological activity. The presence of the amino group suggests that it may participate in hydrogen bonding, influencing its solubility and interaction with biological targets. Its molecular structure indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of functional groups that can interact with various biological pathways. The compound's specific properties, such as melting point, solubility, and stability, would depend on its molecular interactions and the environment in which it is studied. Overall, this compound exemplifies the complexity and diversity of organic molecules used in drug design and development.

Formula: C₁₆H₁₈ClN₃O₃S

InChI: InChI=1S/C16H18ClN3O3S/c1-4-23-15(21)11-9-19-16(24-3)20-14(11)18-8-10-5-6-13(22-2)12(17)7-10/h5-7,9H,4,8H2,1-3H3,(H,18,19,20)

InChI key: InChIKey=WLOQDGSMJNYRRC-UHFFFAOYSA-N

SMILES: N(CC1=CC(Cl)=C(OC)C=C1)C=2C(C(OCC)=O)=CN=C(SC)N2

Synonyms:

• 4-(3-Chloro-4-Methoxy-Benzylamino) -2-Methylsulfanyl-Pyrimidine- 5-Carboxylic Acid Ethyl Ester
• 4-(3-Chloro-4-methoxybenzylamino)-5-ethoxycarbonyl-2-methylthiopyrimidine
• 4-[[(3-Chloro-4-methoxyphenyl)methyl]amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester
• 5-Pyrimidinecarboxylic acid, 4-[[(3-chloro-4-methoxyphenyl)methyl]amino]-2-(methylthio)-, ethyl ester
• Ethyl 4-(3-Chloro-4-Methoxybenzylamino)-2-(Methylthio)Pyrimidine-5-Carboxylate
• Ethyl 4-[[(3-chloro-4-methoxyphenyl)methyl]amino]-2-(methylthio)-5-pyrimidinecarboxylate
• 5-Pyrimidinecarboxylicacid, 4-[[(3-chloro-4-methoxyphenyl)methyl]amino]-2-(methylthio)-,ethyl ester
• (5-PyriMidinecarboxylicacid,4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester)
• Avanafil Intermediate II
• INTERMEDIATE OF AVANAFIL
• (5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester)###NA
• Ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylsulphanyl)pyrimidine-5-carboxylate, 4-[(3-Chloro-4-methoxybenzyl)amino]-5-(ethoxycarbonyl)-2-(methylthio)pyrimidine
• ethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylate

(5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester)

CAS: 330785-81-4

Formula: C₁₆H₁₈ClN₃O₃S

Purity: 98%

Color and Shape: Solid

Molecular weight: 367.8504

Ref: IN-DA00C6IF

Ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylthio)pyrimidine-5-carboxylate

CAS: 330785-81-4

Ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylthio)pyrimidine-5-carboxylate

Formula: C₁₆H₁₈ClN₃O₃S

Purity: ≥95%

Color and Shape: white powder

Molecular weight: 367.85g/mol

Ref: 54-OR48263

Avanafil Impurity 43

CAS: 330785-81-4

Formula: C₁₆H₁₈ClN₃O₃S

Molecular weight: 367.85

Ref: 4Z-A-2949

ETHYL 4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE

CAS: 330785-81-4

Formula: C₁₆H₁₈ClN₃O₃S

Purity: 98%

Molecular weight: 367.85

Ref: 10-F331381

Avanafil Impurity 43

CAS: 330785-81-4

Formula: C₁₆H₁₈ClN₃O₃S

Molecular weight: 367.85

Ref: ST-EA-CP-A84044

Ethyl 4-((3-chloro-4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate

CAS: 330785-81-4

Ethyl 4-((3-chloro-4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate is an intermediate in the synthesis of avanafil. It is a precursor to the drug avanafil, which is used as a treatment for erectile dysfunction. This compound undergoes hydrolysis and condensation reactions to form a product with a reaction yield of 89%. The reaction proceeds sequentially by first forming an acetic acid ester, then adding ethyl bromoacetate, and finally hydrolyzing the ester.

Formula: C₁₆H₁₈ClN₃O₃S

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 367.86 g/mol

Ref: 3D-FNA78581