Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate

Product Name: Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
CAS No.: 85230-37-1
Chemical Name: Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
Synonyms: Ethyl 5-hydroxy-1H-pyrazole-3-carboxylate;EOS-61141;5-hydroxyl-1H-pyrazole-3-ethyl carboxylate;thyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate;Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate;1H-Pyrazole-3-carboxylic acid, 5-hydroxy-, ethyl ester
CBNumber: CB61873889
Molecular Formula: C6H8N2O3
Formula Weight: 156.14
MOL File: 85230-37-1.mol

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Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate Property

Melting point:: 137-138 °C
Boiling point:: 400.1±25.0 °C(Predicted)
Density: 1.371±0.06 g/cm3(Predicted)
storage temp.: 2-8°C
pka: 7.96±0.23(Predicted)
Appearance: Off-white to yellow Solid
InChI: InChI=1S/C6H8N2O3/c1-2-11-6(10)4-3-5(9)8-7-4/h3H,2H2,1H3,(H2,7,8,9)
InChIKey: FGCPAXRNQIOISG-UHFFFAOYSA-N
SMILES: N1C(O)=CC(C(OCC)=O)=N1

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Safety

HS Code: 2933199090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H314Causes severe skin burns and eye damage

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P363Wash contaminated clothing before reuse.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: PH000060
Product name: ETHYL 5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLATE
Purity: AldrichCPR
Packaging: 500MG
Price: $159
Updated: 2022/05/15

TRC

Product number: E945465
Product name: Ethyl5-hydroxy-1H-pyrazole-3-carboxylate
Packaging: 1g
Price: $75
Updated: 2021/12/16

Matrix Scientific

Product number: 129633
Product name: 5-Hydroxy-1H-pyrazole-3-carboxylicacidethylester
Purity: 95%+
Packaging: 1g
Price: $342
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0375954
Product name: ETHYL-5-HYDROXY-1H-PYRAZOLE-3-CARBOXYLATE
Purity: 95.00%
Packaging: 5MG
Price: $499.27
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4H58-1-YA
Product name: 5-Hydroxy-1H-pyrazole-3-carboxylic acid ethyl ester
Packaging: 1g
Price: $71
Updated: 2021/12/16

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Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate Chemical Properties,Usage,Production

Synthesis

40876-98-0

85230-37-1

The general procedure for the synthesis of ethyl 5-keto-4,5-dihydro-1H-pyrazole-3-carboxylate from the sodium salt of diethyl oxaloacetate was as follows: acetic acid (150 mL) was slowly added dropwise to a solution of 1,4-diethoxy-1,4-dioxobut-2-en-2-ol (30.0 g, 0.143 mol) in toluene (150 mL). The reaction mixture was stirred at room temperature for 30 minutes before 85% hydrazine hydrochloride (17 g, 0.29 mol) was added. Stirring was continued at room temperature for 30 minutes, after which the reaction system was heated to 100 °C and kept overnight. Upon completion of the reaction, the mixture was concentrated under reduced pressure and extracted with ethyl acetate (500 mL). The organic phase was washed sequentially with saturated aqueous sodium bicarbonate (200 mL) and saturated aqueous sodium chloride (200 mL), dried over anhydrous sodium sulfate and filtered, and concentrated under reduced pressure to give a yellow solid product. The yield was 17 g (0.11 mol) with 77% yield. The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 12.75 (br s, 1H), 5.91 (br s, 1H), 4.24 (q, J = 7 Hz, 2H), 1.27 (t, J = 7 Hz, 3H).

References

[1] Patent: WO2017/145013, 2017, A1. Location in patent: Page/Page column 54
[2] Chemical and Pharmaceutical Bulletin, 1983, vol. 31, # 4, p. 1228 - 1234

Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate Preparation Products And Raw materials

Raw materials

Preparation Products

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Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate Suppliers

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View Lastest Price from Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate manufacturers

Nanjing jinheyou Trading Co., Ltd.

Product: Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate 85230-37-1
Price: US $0.00/g
Min. Order: 1g
Purity: 95%min
Supply Ability: 20kg/month
Release date: 2019-12-10

85230-37-1, Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylateRelated Search:

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Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate

Ethyl 5-hydroxy-1H-pyrazole-3-carboxylate

EOS-61141

1H-Pyrazole-3-carboxylic acid, 5-hydroxy-, ethyl ester

5-hydroxyl-1H-pyrazole-3-ethyl carboxylate

thyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate

85230-37-1

Heterocycles

Esters

Pyrazoles & Triazoles