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Home > Encyclopedia > 1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-, ethyl ester

1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-, ethyl ester

1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-, ethyl ester structure

1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-, ethyl ester 

structure
  • CAS No:

    35691-93-1

  • Formula:

    C8H12N2O2

  • Chemical Name:

    1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-, ethyl ester

  • Synonyms:

    1H-Pyrazole-4-carboxylic acid,3,5-dimethyl-,ethyl ester;Ethyl 3,5-dimethylpyrazole-4-carboxylate;3,5-Dimethylpyrazole-4-carboxylic acid ethyl ester;Ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate;3,5-Dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester

1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-, ethyl ester Basic Attributes

168.19

168.19

SS3UNU86DP

DTXSID80189206

2933199090

Characteristics

55

1.2

1.136g/cm3

96 °C

284.8°C at 760 mmHg

126ºC

1.518

LDLo oral in mouse: 250mg/kg

Safety Information

IRRITANT

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-, ethyl ester Use and Manufacturing

To a solution of reagent 1 (4.6 mg, 26.7 mmol) in EtOH (50 mL) was added hydrazine hydrochloride (1.8 g, 26.7 mmol). The mixture was heated to reflux for 2 hours. The solvent was removed under reduced pressure and the residue was washed with EtOAc to give reagent 2 as a colorless solid (3.1 g, 69percent) sufficiently pure for the next step.To a solution of reagent 1 (4.6 mg, 26.7 mmol) in EtOH (50 mL) was added hydrazine hydrochloride (1.8 g, 26.7 mmol). The mixture was heated to reflux for 2 hours. The solvent was removed under reduced pressure and the residue was washed with EtOAc to give reagent 2 as a colorless solid (3.1 g, 69%) sufficiently pure for the next step.

Computed Properties

Molecular Weight:168.19
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:168.089877630
Monoisotopic Mass:168.089877630
Topological Polar Surface Area:55
Heavy Atom Count:12
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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