ETHYL 5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLATE
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ETHYL 5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLATE
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CAS No:
31037-02-2
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Formula:
C7H11N3O2
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Chemical Name:
ETHYL 5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLATE
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Synonyms:
5-AMINO-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;AKOS B022231;TIMTEC-BB SBB005505;ETHYL 5-AMINO-1-METHYL-1H-PYRAZOLE-4-CA&;5-Amino-1-methyl-1H-pyrazole-4-carboxylicacideth;ETHYL 3-AMINO-2-METHYLPYRAZOLE-4-CARBOXYLATE;ethyl-5-amino-1-methyl-1Hpyrazole carboxylate
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CAS No:
ETHYL 5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLATE Basic Attributes
169.18
169.085129
131200
1592732-453-0
114767|221274
DTXSID30297224
2933199090
Characteristics
70.1
0.7
Yellow Crystals or Crystalline Powder
1.3±0.1 g/cm3
101-102 °C
300.5°C at 760 mmHg
135.5±22.3 °C
1.571
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38-22
36/37/39-26-22-36/37
Xn,Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
ETHYL 5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLATE Use and Manufacturing
Ethyl (E)-2-cyano-3-ethoxyacrylate (4) (0.775 g, 4.6 mmol) was stirred in ethanol (5 mL) and 2-hydrazinylpyridine (0.50 mL, 4.6 mmol) was added dropwise and allowed to stir for 2 hours. Solvent was removed and residue was poured onto ice and solid collected by filtration. Recrystallisation from methanol/water afforded the title compound 6 (730 mg, 68percent) as an off-white solid.
Used as pesticide intermediate, can be directly used to synthesize sulfonamide
Computed Properties
Molecular Weight:169.18
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:169.085126602
Monoisotopic Mass:169.085126602
Topological Polar Surface Area:70.1
Heavy Atom Count:12
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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ETHYL 5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLATE
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