1,3-Dimethylpyrazole-5-carboxylicacid
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1,3-Dimethylpyrazole-5-carboxylicacid
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CAS No:
5744-56-9
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Formula:
C6H8N2O2
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Chemical Name:
1,3-Dimethylpyrazole-5-carboxylicacid
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Synonyms:
1,3-Dimethyl-1H-pyrazole-5-carboxylic acid;1,3-Dimethylpyrazole-5-carboxylic acid;1H-PYRAZOLE-5-CARBOXYLIC ACID, 1,3-DIMETHYL-;2,5-dimethyl-2h-pyrazole-3-carboxylic acid;1,3-Dimethylpyrazole-5-carboxylicacid;1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, 97%;2,5-dimethylpyrazole-3-carboxylic acid;PubChem7839;KSC269G2L;SCHEMBL286931
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CAS No:
Safety Information
NONH for all modes of transport
1
R22;R36/37/38
S26-S36/37/39-S22
Xn:Harmful
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory.
1,3-Dimethylpyrazole-5-carboxylicacid Use and Manufacturing
c. Synthesis of 1 , 3-dimethyl-pyrazole-5-carboxylic acid; 3, δ-dimethyl-pyrazole-δ-carboxylic acid methylester (5.14 Kg) is added to an aqueous solution of 20percent sodium hydroxide (10 L) at OGeneral procedure: Step 8-1-3 5-(2, 4-Dichlorophenyl)-2-methyl-2H-pyrazole-3-carboxylic acid Ethyl 5-(2, 4-dichlorophenyl)-2-methyl-2H-pyrazole-3-carboxylate (2.98 g) was added to ethanol (50 ml), and sodium hydroxide (5.0 g) was added thereto at a room temperature under stirring, and subsequently the mixture was heated and stirred for 60 minutes. The mixture was adjusted to pH 5 by addition of 2-N hydrochloric acid, and the precipitated crystal was separated by filtration and subjected to through circulation drying to give the title compound (1.90 g, 70%) as a white powder. 1H-NMR (DMSO-d6) delta: 13.54 (brs, 1H), 7.83 (d, J=8.5 Hz, 1H), 7.72 (d, J=2.3 Hz, 1H), 7.51 (dd, J=2.3, 8.5 Hz, 1H), 7.27 (s, 1H), 4.16 (s, 3H) Mass, m/z: 270 (M+, base)Compound E-Y3 (46 mg, 0.1 mmol) was dissolved in 3 mL dichloromethane (DCM)And 1 mL of trifluoroacetic acid (TFA), stirred at room temperature for 30 min, After the solvent was concentrated to dryness, 1 mL of DMF and 0.1 mL of diisopropylethylamine (DIEPA) were added.Stir and dissolve, add HATU (76 mg, 0.2 mmol) at room temperature.To a mixture of
Computed Properties
Molecular Weight:140.14
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:140.058577502
Monoisotopic Mass:140.058577502
Topological Polar Surface Area:55.1
Heavy Atom Count:10
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,3-Dimethylpyrazole-5-carboxylicacid
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