ChemicalBook--->CAS DataBase List--->1194-78-1

1194-78-1

1194-78-1 Structure

1194-78-1 Structure
IdentificationBack Directory
[Name]

2,4,5-Triamino-6-chloropyrimidine
[CAS]

1194-78-1
[Synonyms]

2,4,5-Triamino-6-chloropyrimid
2,4,5-Triamio-6-chloropyrimidine
2,4,5-Triamino-6-chloropyrimidine
6-Chloro-2,4,5-pyrimidinetriamine
6-ChloropyriMidine-2,4,5-triaMine
2,4,5-Pyrimidinetriamine, 6-chloro-
2,4,5-Triamino-6-hydroxypyrimidine dihydrochloride
[Molecular Formula]

C4H6ClN5
[MDL Number]

MFCD11114448
[MOL File]

1194-78-1.mol
[Molecular Weight]

159.58
Chemical PropertiesBack Directory
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS06
[Signal word ]

Danger
[Hazard statements ]

H302+H332-H311
[Precautionary statements ]

P280-P312
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2,5-Diamino-4,6-dichloropyrimidine-->2,4-Pyrimidinediamine, 6-chloro-5-[2-(4-chlorophenyl)diazenyl]-
Hazard InformationBack Directory
[Synthesis]

2,5-Diamino-4,6-dichloropyrimidine

55583-59-0

2,4,5-Triamino-6-chloropyrimidine

1194-78-1

General procedure for the synthesis of 2,4,5-triamino-6-chloropyrimidine from 2,5-diamino-4,6-dichloropyrimidine: 2,5-diamino-4,6-dichloropyrimidine (1 equiv.) was suspended in concentrated ammonia (18 mL/mmol), placed in a sealed reaction tube, and heated to 135 °C for 24 hours. Upon completion of the reaction, the reaction mixture was concentrated under vacuum and subsequently purified by silica gel column chromatography with the eluent being a solvent mixture of dichloromethane/methanol/concentrated ammonia to give the final target compound 2,4,5-triamino-6-chloropyrimidine (93% yield). The structure of the product was confirmed by 13C NMR (101 MHz, J6-DMSO) with the chemical shifts of δ 156.0, 155.5, 113.3, 39.5, respectively; the analytical results of high-resolution mass spectrometry (HRMS-ESI) were in accordance with the theoretical values, with the calculated value of C4H7ClN5 [M + H]+ 160.03845 and the measured value of 160.0385.

[References]

[1] Patent: WO2016/87665, 2016, A2. Location in patent: Page/Page column 102
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