methyl (4-nitro-1H-pyrazol-1-yl)acetate

Product Name: methyl (4-nitro-1H-pyrazol-1-yl)acetate
CAS No.: 6715-84-0
Chemical Name: methyl (4-nitro-1H-pyrazol-1-yl)acetate
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
CBNumber: CB01530175
Molecular Formula: C6H7N3O4
Formula Weight: 185.14
MOL File: 6715-84-0.mol

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methyl (4-nitro-1H-pyrazol-1-yl)acetate Property

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

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H315Causes skin irritation

H318Causes serious eye damage

H330Fatal if inhaled

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P284Wear respiratory protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: B498625
Product name: Methyl(4-Nitro-1H-pyrazol-1-yl)acetate
Packaging: 500mg
Price: $55
Updated: 2021/12/16

AK Scientific

Product number: 4293CN
Product name: Methyl(4-nitro-1H-pyrazol-1-yl)acetate
Packaging: 1g
Price: $154
Updated: 2021/12/16

Matrix Scientific

Product number: 077413
Product name: Methyl (4-nitro-1H-pyrazol-1-yl)acetate
Packaging: 500mg
Price: $168
Updated: 2021/12/16

Matrix Scientific

Product number: 077413
Product name: Methyl (4-nitro-1H-pyrazol-1-yl)acetate
Packaging: 1g
Price: $210
Updated: 2021/12/16

AK Scientific

Product number: 4293CN
Product name: Methyl(4-nitro-1H-pyrazol-1-yl)acetate
Packaging: 10g
Price: $460
Updated: 2021/12/16

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methyl (4-nitro-1H-pyrazol-1-yl)acetate Chemical Properties,Usage,Production

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

2075-46-9

96-34-4

6715-84-0

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

methyl (4-nitro-1H-pyrazol-1-yl)acetate Preparation Products And Raw materials

Raw materials

Preparation Products

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methyl (4-nitro-1H-pyrazol-1-yl)acetate Suppliers

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6715-84-0, methyl (4-nitro-1H-pyrazol-1-yl)acetateRelated Search:

methyl (4-nitro-1H-pyrazol-1-yl)acetate

Methyl 4-Nitro-1H-pyrazole-1-acetate

methyl 2-(4-nitropyrazol-1-yl)acetate

1H-Pyrazole-1-acetic acid, 4-nitro-, methyl ester

6715-84-0