| Identification | Back Directory | [Name]
4,5,6-TRIAMINOPYRIMIDINE | [CAS]
118-70-7 | [Synonyms]
NSC-145059
TIMTEC-BB SBB004267
4,5,6-TRIAMINOPYRIMIDINE
4,5,6-Pyrimidinetriamine
PYRIMIDINE-4,5,6-TRIAMINE
pyrimidine-4,5,6-triyltriamine | [EINECS(EC#)]
204-270-2 | [Molecular Formula]
C4H7N5 | [MDL Number]
MFCD00023271 | [MOL File]
118-70-7.mol | [Molecular Weight]
125.13 |
| Chemical Properties | Back Directory | [Melting point ]
257 °C (decomp)(Solv: water (7732-18-5)) | [Boiling point ]
406.2±40.0 °C(Predicted) | [density ]
1.512±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [pka]
5.60±0.30(Predicted) | [Appearance]
Light yellow to brown Solid | [InChI]
InChI=1S/C4H7N5/c5-2-3(6)8-1-9-4(2)7/h1H,5H2,(H4,6,7,8,9) | [InChIKey]
MPNBXFXEMHPGTK-UHFFFAOYSA-N | [SMILES]
C1=NC(N)=C(N)C(N)=N1 | [CAS DataBase Reference]
118-70-7 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Sulfuric acid-->Sodium-->Sodium nitrite-->Sodium dithionite-->Ethyl formate-->2-AMINOACETAMIDINE-->4,6-Pyrimidinediamine, 5-[2-(4-nitrophenyl)diazenyl]--->Propanedinitrile, 2-[2-(4-methylphenyl)diazenyl]--->4,6-DIAMINO-2-MERCAPTO-5-NITROSOPYRIMIDINE-->5-phenylazopyrimidine-4,6-diamine-->1H-Purin-6-amine, 8-methyl- (9CI)-->4,6-Pyrimidinediamine, 5-nitroso- (9CI)-->2-MERCAPTO-4,5,6-TRIAMINOPYRIMIDINE-->4,6-DIAMINO-5-NITROPYRIMIDINE-->4,5,6-TRIAMINOPYRIMIDINE SULFATE | [Preparation Products]
6-Amino-2-bromopurine-->4,6-Diaminopyrimidine |
| Hazard Information | Back Directory | [Uses]
4,5,6-Triaminopyrimidine (pyrimidine-4,5,6-triamine) is a pyrimidine derivative. It can be used in the preparation of 5-pyrimidine-6-yloxypyrazole and pyrazole derivatives, as well as in the preparation of nanofiltration membranes and surface-modified substrates for compounds. | [Synthesis]
Step 4: Wetted 4,6-diamino-5-nitrosopyrimidine was loaded into a reaction column. 400 mL of methanol and 4 g of 5% palladium carbon catalyst were added to the autoclave and the reaction was stirred at room temperature in a hydrogen atmosphere. Upon completion of the reaction, methanol was removed by evaporating the filtrate. The resulting 4,5,6-triaminopyrimidine can be used directly in the subsequent reaction steps without further purification in 95% yield. | [References]
[1] Nucleosides, Nucleotides and Nucleic Acids, 2009, vol. 28, # 5-7, p. 550 - 585
[2] Patent: CN103709164, 2016, B. Location in patent: Paragraph 0034; 0105; 0110-0111
[3] Journal of the Chemical Society, 1956, p. 4106,4111 |
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