| Identification | Back Directory | [Name]
methyl (4-nitro-1H-pyrazol-1-yl)acetate | [CAS]
6715-84-0 | [Synonyms]
Methyl 4-Nitro-1H-pyrazole-1-acetate
methyl 2-(4-nitropyrazol-1-yl)acetate
methyl (4-nitro-1H-pyrazol-1-yl)acetate
1H-Pyrazole-1-acetic acid, 4-nitro-, methyl ester | [Molecular Formula]
C6H7N3O4 | [MDL Number]
MFCD00297173 | [MOL File]
6715-84-0.mol | [Molecular Weight]
185.14 |
| Chemical Properties | Back Directory | [Boiling point ]
321.7±22.0 °C(Predicted) | [density ]
1.48±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
-2.71±0.10(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C6H7N3O4/c1-13-6(10)4-8-3-5(2-7-8)9(11)12/h2-3H,4H2,1H3 | [InChIKey]
GEADOFDFVOSIOA-UHFFFAOYSA-N | [SMILES]
N1(CC(OC)=O)C=C([N+]([O-])=O)C=N1 |
| Hazard Information | Back Directory | [Uses]
Methyl (4-Nitro-1H-pyrazol-1-yl)acetate is used in preparation of novel substituted glycine derivatives as Factor XIa and/or plasma kallikrein inhibitors. | [Synthesis]
Step 1: To a solution of 4-nitro-1H-pyrazole (100 g, 0.88 mol) in acetonitrile (ACN, 2 L) was added potassium carbonate (K2CO3, 183.2 g, 1.33 mol) and methyl chloroacetate (95.6 g, 0.88 mol). The reaction mixture was heated to 60 °C and the reaction was stirred at this temperature for 5 hours. Upon completion of the reaction, the mixture was filtered to remove insoluble solids and the solvent was subsequently removed by distillation under reduced pressure to afford methyl 2-(4-nitro-1H-pyrazol-1-yl)acetate as a white solid (150 g, 92% yield). The product was characterized by 1H NMR (400 MHz, CDCl3): δ 8.28 (s, 1H), 8.11 (s, 1H), 4.98 (s, 2H), 3.84 (s, 3H). | [References]
[1] Patent: WO2013/14162, 2013, A1. Location in patent: Page/Page column 99 |
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| Company Name: |
Biokitchen
|
| Tel: |
021-021-021-31663258 13795219287 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList20174/0_EN.htm |
| Company Name: |
Energy Chemical
|
| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
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