ChemicalBook--->CAS DataBase List--->171887-03-9

171887-03-9

171887-03-9 Structure

171887-03-9 Structure
IdentificationMore
[Name]

N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide
[CAS]

171887-03-9
[Synonyms]

N-(2-Amino-4.6-dichloro-5-pyrimdinyl) formamide
2-Amino-4,6-dichloro-5-pyrimidinyl formamide
2,5-Diamino-4,6-DichloroformamidoHcl
N-(2-Amino-4,6-Dichloro-5-Pyri
N-(2-AMINO-4,6-DICHLOROPYRIMIDIN-5-YL) FORMAMIDE[FOR ABACAVIR]
2-Amino-4,6-dichloro-5-formamidopyrimidine
N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide
N-(2-Amino-4,6-dichloropyrimidin-5-yl)formamide
[EINECS(EC#)]

425-650-6
[Molecular Formula]

C5H4Cl2N4O
[MDL Number]

MFCD04112936
[Molecular Weight]

207.02
[MOL File]

171887-03-9.mol
Chemical PropertiesBack Directory
[Melting point ]

>251°C (dec.)
[Boiling point ]

554.8±60.0 °C(Predicted)
[density ]

1.742±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[solubility ]

DMSO, Methanol
[form ]

Solid
[pka]

10.90±0.70(Predicted)
[color ]

Off-White to Pale Beige
[Usage]

Abacavir intermediate. A purine derivative
[InChI]

InChI=1S/C5H4Cl2N4O/c6-3-2(9-1-12)4(7)11-5(8)10-3/h1H,(H,9,12)(H2,8,10,11)
[InChIKey]

XYWHZUCZNRMJGO-UHFFFAOYSA-N
[SMILES]

C(NC1=C(Cl)N=C(N)N=C1Cl)=O
[CAS DataBase Reference]

171887-03-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[HS Code ]

2933.59.9500
[REACH Registrations]

Active
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Diethyl ether-->Toluene-->Nitric acid-->Phosphorus oxitrichloride-->Sodium sulfate-->Ammonium hydroxide-->Formic acid-->Heptane-->N,N-Diethylaniline-->Aluminium-nickel-->Barbituric acid
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder
[Uses]

Abacavir intermediate. A purine derivative
[Uses]

Prasugrel intermediate
[Synthesis]

Formic acid

64-18-6

2,5-Diamino-4,6-dichloropyrimidine

55583-59-0

N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide

171887-03-9

1. 2,5-diamino-4,6-dichloropyrimidine (0.01 mol, 2.0 g) was mixed with water (0.25 mol, 4.55 mL) at room temperature and stirred. 2. 98% formic acid (0.4 mol, 18.27 g, 14.97 mL) was slowly added to the reaction system. 3. The reaction mixture was heated to 50-55 °C and maintained at this temperature for 3 hours. 4. Upon completion of the reaction, toluene (0.38 mol, 34.6 g, 40 mL) was added to the reaction system at 50 °C for azeotropic distillation. This process was repeated once, using a total of 80 mL of toluene to ensure adequate distillation. 5. After the reaction mixture was cooled, the solid product was collected by filtration and washed with cold water. 6. The washed product was dried under vacuum at 60°C. 7. 7. 2-amino-4,6-dichloro-5-formamidopyrimidine (0.01 mol, 2.0 g) was finally obtained in about 90% yield.

[References]

[1] Patent: EP1188750, 2002, A1. Location in patent: Page 5
Spectrum DetailBack Directory
[Spectrum Detail]

N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide(171887-03-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

2-Amino-4,6-dichloro-5-formamidopyrimidine,>98.0%(LC)(N)(171887-03-9)
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