| Identification | More | [Name]
Ethyl 1,3-dimethylpyrazole-5-carboxylate | [CAS]
5744-40-1 | [Synonyms]
1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
AKOS PAO-0382
BUTTPARK 91\11-01
ETHYL 1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXYLATE
ETHYL 1,3-DIMETHYLPYRAZOLE-5-CARBOXYLATE
RARECHEM AL BI 1315
Ethyl 1,3-dimethylpyrazole-5-carboxylate 95%
Ethyl 1,3-Dimethyl-1H-pyrazole-5-carboxylate ,97% | [Molecular Formula]
C8H12N2O2 | [MDL Number]
MFCD00233452 | [Molecular Weight]
168.19 | [MOL File]
5744-40-1.mol |
| Chemical Properties | Back Directory | [Appearance]
Colorless to light yellow liqui | [Melting point ]
40-42 °C | [Boiling point ]
80°C 1mm | [density ]
1.12±0.1 g/cm3(Predicted) | [refractive index ]
1.4790 to 1.4830 | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
clear liquid | [pka]
1.03±0.10(Predicted) | [color ]
Light yellow to Yellow to Orange | [Detection Methods]
HPLC | [InChI]
InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5-6(2)9-10(7)3/h5H,4H2,1-3H3 | [InChIKey]
ZYSGPOXVDOROJU-UHFFFAOYSA-N | [SMILES]
N1(C)C(C(OCC)=O)=CC(C)=N1 | [CAS DataBase Reference]
5744-40-1(CAS DataBase Reference) |
| Questions And Answer | Back Directory | [Uses]
1,3-Dimethyl-1H-pyrazole-5-carboxylic acid ethyl ester is a representative compound of pyrazole derivatives. By modifying its structure and introducing different substituents into the pyrazole ring structure, it is expected that pyrazole derivatives with better performance can be obtained. |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29331990 | [Storage Class]
11 - Combustible Solids |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Ethanol-->Hydrochloric acid-->Ethyl acetate-->Sulfuric acid-->Dichloromethane-->Sodium-->Acetone-->Diethyl oxalate-->Methylhydrazine-->2-chloro-6-fluoro-benzoate | [Preparation Products]
1,3-Dimethyl-1H-pyrazole-5-carbaldehyde-->1-(2,5-Dimethyl-2H-pyrazol-3-yl)-ethanone-->2-Bromo-1-(1,3-dimethyl-1H-pyrazol-5-yl)ethanone-->5-Isocyanato-1,3-dimethyl-1H-pyrazole-->1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride-->1,3-Dimethyl-1H-pyrazole-5-carbonitrile-->5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole-->1,3-Dimethylpyrazole-5-carboxylic acid-->(1,3-Dimethyl-1H-pyrazol-5-yl)methanol-->4-Chloro-2,5-dimethyl-2H-pyrazole-3-carboxylic acid-->1,3-Dimethylpyrazole-5-carbohydrazide |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless to light yellow liqui | [Synthesis]
The general procedure for the synthesis of ethyl 1,3-dimethyl-1hydro-pyrazole-5-carboxylate from ethyl 3-methylpyrazole-5-carboxylate and dimethyl carbonate is as follows: 0.1 mol ethyl 3-methyl-5-pyrazolecarboxylate, 0.055 mol dimethyl carbonate (DMC), 100 mL xylene, and 2.0 g Cs2CO3 were mixed, and the reaction was carried out at 130?140°C for 8 hours. Upon completion of the reaction, the mixture was cooled to room temperature and the solvent was removed by rotary evaporation to afford ethyl 1,3-dimethyl-5-pyrazolecarboxylate as an oil. The product was quantitatively analyzed by high performance liquid chromatography (HPLC) with a purity of 97.7% and a yield of 85.8%. | [References]
[1] Patent: CN107216288, 2017, A. Location in patent: Paragraph 0039; 0040; 0041; 0042 |
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