| Identification | Back Directory | [Name]
2-CHLORO-5-NITROPYRIMIDIN-4-AMINE | [CAS]
1920-66-7 | [Synonyms]
KML-51
IFLAB-BB F1930-0037
1-(2-prop-2-enoxyethoxy)butane
2-Chloro-5-nitropirimidin-4-amine
2-CHLORO-5-NITROPYRIMIDIN-4-AMINE
2-CHLORO-5-NITRO-4-PYRIMIDINAMINE
4-AMINO-2-CHLORO-5-NITROPYRIMIDINE
2-Chloro-5-nitro-6-aminopyrimidine
2-Chloro-5-nitropyrimidine-4-amine
4-amino-5-nitro-2-chloropyrimidine
2-Chloro-4-aMino-5-nitropyriMidine
2-chloro-5-nitropyriMidine-4-aMino
4-Pyrimidinamine, 2-chloro-5-nitro-
2-Chloro-5-nitropyrimidin-4-amine ,95%
(2-chloro-5-nitro-pyrimidin-4-yl)amine
2-CHLORO-5-NITROPYRIMIDIN-4-AMINE ISO 9001：2015 REACH | [EINECS(EC#)]
217-648-7 | [Molecular Formula]
C4H3ClN4O2 | [MDL Number]
MFCD00127771 | [MOL File]
1920-66-7.mol | [Molecular Weight]
174.55 |
| Chemical Properties | Back Directory | [Melting point ]
221-226℃ | [Boiling point ]
446.0±25.0 °C(Predicted) | [density ]
1.712±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [form ]
Solid | [pka]
-1.22±0.10(Predicted) | [Appearance]
Light yellow to yellow Solid | [Water Solubility ]
Slightly soluble in water. | [InChI]
InChI=1S/C4H3ClN4O2/c5-4-7-1-2(9(10)11)3(6)8-4/h1H,(H2,6,7,8) | [InChIKey]
RZGOEIWDMVQJBQ-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC=C([N+]([O-])=O)C(N)=N1 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22-36/37/38-43 | [Safety Statements ]
26-36/37-36 | [WGK Germany ]
3 | [HS Code ]
29335990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow to brown solid | [Uses]
It is an important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field. | [Synthesis]
General procedure for the synthesis of 2-chloro-4-amino-5-nitropyrimidines from 2,4-dichloro-5-nitropyrimidines: a solution of 2,4-dichloro-5-nitropyrimidines (30 g, 154.36 mmol) was slowly added dropwise to a solution of 2,4-dichloro-5-nitropyrimidines (30 g, 154.36 mmol) in dichloromethane (DCM) with ammonia (NH3-H2O, aqueous solution, 24 mL) and N,N-diisopropylethylamine ( DIPEA, 37.2 mL) to a mixed solution of DCM (400 mL). The reaction mixture was stirred continuously at 0 °C for 1 h, followed by filtration. The collected solid was dried to give the target product 2-chloro-4-amino-5-nitropyrimidine (25 g, 92.6% yield) as a yellow solid. It was analyzed by liquid chromatography-mass spectrometry (LCMS, ESI) and m/z: 175.0 ([M+H]+) was measured. | [References]
[1] Patent: US2017/313683, 2017, A1. Location in patent: Paragraph 0541-0542
[2] Journal of Medicinal Chemistry, 2012, vol. 55, # 23, p. 10685 - 10699
[3] Patent: EP2578584, 2013, A1. Location in patent: Paragraph 0071; 0072
[4] Journal of Heterocyclic Chemistry, 2012, vol. 49, # 2, p. 321 - 328
[5] Patent: EP3284743, 2018, A1. Location in patent: Paragraph 0135 |
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