6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE

6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE Suppliers list
Company Name: Henan Alfa Chemical Co., Ltd
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Products Intro: CAS:7400-05-7
Purity:97%+ Package:25g; 100g; 500g; 1kg; 25kg;bulk package
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Products Intro: Product Name:Tofacitinib Impurity 205
CAS:7400-05-7
Purity:0.95 Package:Vials
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Products Intro: Product Name:6-Amino-5-(2,2-diethoxyethyl)-2-mercaptopyrimidin-4-ol
CAS:7400-05-7
Purity:0.97 Package:mgs,gs,kgs Remarks:A916483
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Products Intro: Product Name:6-Amino-5-(2,2-diethoxyethyl)-4-hydroxy-2-mercaptopyrimidine, 97%
CAS:7400-05-7
Purity:97% Package:1G
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Products Intro: Product Name:6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE
CAS:7400-05-7
Purity:99% HPLC Package:1Mg ; 5Mg;10Mg ;100Mg;250Mg ;500Mg ;1g;2.5g ;5g ;10g
6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE Basic information
Product Name:6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE
Synonyms:NSC 59249;4(1H)-PyriMidinone, 6-aMino-5-(2,2-diethoxyethyl)-2,3-dihydro-2-thioxo-;6-amino-5-(2,2-diethoxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one;6-AMINO-5-(2,2-DIETHOXYETHYL)-2-MERCAPTOPYRIMIDIN-4-OL;6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE;6-AMino-5-(2,2-diethoxyethyl)-2,3-dihydro-2-thioxo-4(1H)-pyriMidinone;Tofacitinib Impurity 205;Tofacitinib Impurity 157
CAS:7400-05-7
MF:C10H17N3O3S
MW:259.33
EINECS:
Product Categories:Amines;Aromatics;Heterocycles;Nucleotides and Nucleosides;Bases & Related Reagents;Intermediates;Nucleotides;Sulfur & Selenium Compounds
Mol File:7400-05-7.mol
6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE Structure
6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE Chemical Properties
Melting point >300°C
density 1.27
storage temp. -20°C Freezer
solubility DMSO, Methanol
pka8.08±0.25(Predicted)
form Solid
color White to Off-White
Stability:Sensitive to Aqueous Acid
CAS DataBase Reference7400-05-7
Safety Information
Risk Statements 22-40
Safety Statements 36/37
HS Code 29335990
MSDS Information
6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE Usage And Synthesis
Chemical PropertiesWhite Crystalline Solid
UsesIntermediate in the production of thymidine phosphorylase inhibitors.
Synthesis
Ethyl 2,2-diethoxyethylcyanoacetate

52133-67-2

Carbamimidothioic acid

17356-08-0

6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE

7400-05-7

To a freshly prepared sodium ethanolate solution [made by reacting ethanol (250 mL) with sodium metal (9.02 g, 392.55 mmol)], ethyl 2-cyano-4,4-diethoxybutyrate (45 g, 196.27 mmol) and thiourea (14.94 g, 196.27 mmol dissolved in 200 mL of ethanol) were added sequentially. The reaction mixture was heated to reflux for 3.5 hours with stirring. Upon completion of the reaction, the mixture was cooled to room temperature and stirring was continued overnight. Subsequently, the reaction was quenched with water (100 mL) and the ethanol was removed by vacuum concentration. The residue was dissolved in water (100 mL) and neutralized with dilute aqueous hydrochloric acid (3N) to pH 7 at a temperature below 10 °C. The resulting solid was collected by filtration and dried under vacuum to afford 6-amino-5-(2,2-diethoxyethyl)-2-mercapto-pyrimidin-4-ol (30.6 g, 60.19% yield) as a light yellow solid. The product was confirmed by 1HNMR, IR, MS, HPLC and elemental analysis.

References[1] Patent: WO2010/14930, 2010, A2. Location in patent: Page/Page column 60
[2] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 22, p. 6770 - 6789
[3] Patent: WO2006/46023, 2006, A1. Location in patent: Page/Page column 122-123
[4] Patent: WO2008/75109, 2008, A1. Location in patent: Page/Page column 112
[5] Patent: WO2006/46024, 2006, A1. Location in patent: Page/Page column 117
6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE Preparation Products And Raw materials
Raw materialsEthyl 2,2-diethoxyethylcyanoacetate-->Carbamimidothioic acid-->Sodium ethoxide-->Hydrochloric acid
Preparation Products7H-Pyrrolo[2,3-d]pyrimidine
Tag:6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE(7400-05-7) Related Product Information
1-Benzyl-4-methyl-piperidin-3-one hydrochloride CYANOACETIC ACID-OSU N-Hydroxysuccinimide Tofacitinib Impurity 29 N-Methyl-N-((3S,4S)-4-Methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyriMidin-4-aMine 4-(Hydroxyamino)-4-oxobutanoic acid 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine BENZYL ETHYL ETHER 4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Tofacitinib Impurity 85 N-((3R,4S)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine 4-Amino-2,6-dichloropyrimidine Malonyl chloride Benzyl chloride Methyl (4-Methylpiperidin-3-yl)carbaMate Tofacitinib impurity T Tofacitinib Impurity 19

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