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

Product Name: 6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE
CAS No.: 7400-05-7
Chemical Name: 6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE
Synonyms: NSC 59249;Tofacitinib Impurity 157;Tofacitinib Impurity 205;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-sulfanylidene-1H-pyrimidin-4-one;6-AMino-5-(2,2-diethoxyethyl)-2,3-dihydro-2-thioxo-4(1H)-pyriMidinone;4(1H)-PyriMidinone, 6-aMino-5-(2,2-diethoxyethyl)-2,3-dihydro-2-thioxo-
CBNumber: CB1348219
Molecular Formula: C10H17N3O3S
Formula Weight: 259.33
MOL File: 7400-05-7.mol

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

Melting point:: >300°C
Density: 1.27
storage temp.: -20°C Freezer
solubility: DMSO, Methanol
pka: 8.08±0.25(Predicted)
form: Solid
color: White to Off-White
Stability:: Sensitive to Aqueous Acid
CAS DataBase Reference: 7400-05-7

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Safety

Risk Statements: 22-40
Safety Statements: 36/37
HS Code: 29335990

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

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

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P310Immediately call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

TRC

Product number: A604875
Product name: 6-Amino-5(2,2-diethoxyethyl)-4-hydroxy-2-mercaptopyrimidine
Packaging: 250mg
Price: $60
Updated: 2021/12/16

TRC

Product number: A604875
Product name: 6-Amino-5(2,2-diethoxyethyl)-4-hydroxy-2-mercaptopyrimidine
Packaging: 2g
Price: $215
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FA17592
Product name: 6-Amino-5(2,2-diethoxyethyl)-4-hydroxy-2-mercaptopyrimidine
Packaging: 250mg
Price: $80
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FA17592
Product name: 6-Amino-5(2,2-diethoxyethyl)-4-hydroxy-2-mercaptopyrimidine
Packaging: 500mg
Price: $125
Updated: 2021/12/16

AK Scientific

Product number: 8252AJ
Product name: 6-Amino-5(2,2-diethoxyethyl)-4-hydroxy-2-mercaptopyrimidine
Packaging: 250mg
Price: $158
Updated: 2021/12/16

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6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE Chemical Properties,Usage,Production

Chemical Properties

White Crystalline Solid

Uses

Intermediate in the production of thymidine phosphorylase inhibitors.

Synthesis

52133-67-2

17356-08-0

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 materials

Preparation Products

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

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7400-05-7, 6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINERelated Search:

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

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

7400-05-7

Amines

Aromatics

Heterocycles

Nucleotides and Nucleosides

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Sulfur & Selenium Compounds