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

Product Name: (5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester)
CAS No.: 330785-81-4
Chemical Name: (5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester)
Synonyms: Avanafil Intermediate II;ethyl 4-(3-chloro-4-MethoxybenzylaMino)-2-(Methylthio)pyriMidine-5-carboxylate;4-[[(3-Chloro-4-methoxyphenyl)methyl]amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester;AvafilImpurity43;RSYY（Lifitegrast)-1;INTERMEDIATE OF AVANAFIL;Avanafil Intermediate Impurity;330785-81-4;5-Pyrimidinecarboxylicacid, 4-[[(3-chloro-4-methoxyphenyl)me...;4-(3-chloro-4-MethoxybenzylaMino)-5-ethoxycarbonyl-2-MethylthiopyriMidine
CBNumber: CB52638736
Molecular Formula: C16H18ClN3O3S
Formula Weight: 367.85
MOL File: 330785-81-4.mol

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

Boiling point:: 514.9±45.0 °C(Predicted)
Density: 1.33±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 2.70±0.10(Predicted)
form: powder
color: White
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)
InChIKey: WLOQDGSMJNYRRC-UHFFFAOYSA-N
SMILES: C1(SC)=NC=C(C(OCC)=O)C(NCC2=CC=C(OC)C(Cl)=C2)=N1

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Safety

HS Code: 2933399990

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H226Flammable liquid and vapour

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P242Use only non-sparking tools.

P243Take precautionary measures against static discharge.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P370+P378In case of fire: Use … for extinction.

P403+P235Store in a well-ventilated place. Keep cool.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: C367865
Product name: 4-(3-Chloro-4-methoxybenzylamino)-5-ethoxycarbonyl-2-methylthiopyrimidine
Packaging: 25g
Price: $910
Updated: 2021/12/16

AK Scientific

Product number: 3646AH
Product name: Ethyl4-((3-chloro-4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate
Packaging: 1g
Price: $295
Updated: 2021/12/16

Apolloscientific

Product number: OR48263
Product name: Ethyl4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylthio)pyrimidine-5-carboxylate
Packaging: 1g
Price: $27
Updated: 2021/12/16

SynQuest Laboratories

Product number: 8H65-5-X0
Product name: Ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylthio)pyrimidine-5-carboxylate
Packaging: 1g
Price: $29
Updated: 2021/12/16

Apolloscientific

Product number: OR48263
Product name: Ethyl4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylthio)pyrimidine-5-carboxylate
Packaging: 5g
Price: $47
Updated: 2021/12/16

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

Uses

4-(3-Chloro-4-methoxybenzylamino)-5-ethoxycarbonyl-2-methylthiopyrimidine is an intermediate for Avanafil (A794670) derivatives. Avanafil is a phosphodiesterase (PDE5) inhibitor, used to treat erectile dysfunction.

Synthesis

5909-24-0

115514-77-7

330785-81-4

General procedure for the synthesis of 4-(3-chloro-4-methoxybenzylamino)-2-methylmercapto-5-ethoxycarbonylpyrimidine from 4-chloro-2-methylthiopyrimidine-5-carboxylic acid ethyl ester and 3-chloro-4-methoxybenzylamine: firstly, 3-chloro-4-methoxybenzylamine (45.6 g, 0.27 mol) was dissolved in 180 mL of acetone, followed by triethylamine (40.4 g, 0.4 mol). Next, ethyl 4-chloro-2-methylthiopyrimidine-5-carboxylate (53.3 g, 0.24 mol) was dissolved in 250 mL of acetone and slowly added dropwise to the above reaction solution. The reaction was carried out at room temperature for 3 hours. Upon completion of the reaction, the reaction solution was poured into an ice-water mixture and extracted with ethyl acetate. The organic phases were combined and washed with 10% aqueous citric acid (250 mL x 3). The organic layer was dried with anhydrous sodium sulfate, followed by evaporation of the solvent under reduced pressure. Finally, the product was dried under vacuum to give a white solid (86.0 g, 87.0% yield).

References

[1] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 23, p. 5460 - 5465
[2] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 7, p. 1431 - 1435
[3] Patent: CN108707141, 2018, A. Location in patent: Paragraph 0027; 0031; 0036; 0040; 0045; 0049
[4] Patent: EP2886540, 2015, A1. Location in patent: Paragraph 0168; 0169
[5] Patent: EP1366760, 2003, A1. Location in patent: Page 19

(5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester) Preparation Products And Raw materials

Raw materials

Preparation Products

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

China 199 France 1 India 3 United Kingdom 1 United States 1 Global 205

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View Lastest Price from (5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester) manufacturers

Handan City Zechi trading Co., LTD

Product: (5-PyriMidinecarboxylicacid,?4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester) 330785-81-4
Price: US $1.00/g
Min. Order: 100g
Purity: 99
Supply Ability: 1000
Release date: 2025-08-11

PNP Biotech Co. Ltd

Product: 5-Pyrimidinecarboxylicacid, 4-[[(3-chloro-4-methoxyphenyl)methyl]amino]-2-(methylthio)-, ethyl ester 330785-81-4
Price: US $0.00/KG
Min. Order: 25KG
Purity: 98%-99%
Supply Ability: Inquiry
Release date: 2022-10-21

Anhui Ruihan Technology Co., Ltd

Product: Avanafil Intermediate II 330785-81-4
Price: US $30.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 20 tons
Release date: 2023-09-07

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5-Pyrimidinecarboxylicacid, 4-[[(3-chloro-4-methoxyphenyl)me...

"5-Pyrimidinecarboxylic acid,4-[[(3-chloro-4-methoxyphenyl) methyl]amino]-2-(methylthio)ethyl este"

AvafilImpurity43

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

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RSYY（Lifitegrast)-1

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

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330785-81-4

330785-84-4

330785-81-4