ChemicalBook--->CAS DataBase List--->85230-37-1

85230-37-1

85230-37-1 Structure

85230-37-1 Structure
IdentificationBack Directory
[Name]

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

85230-37-1
[Synonyms]

EOS-61141
Ethyl 5-hydroxy-1H-pyrazole-3-carboxylate
Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
1H-Pyrazole-3-carboxylic acid, 5-hydroxy-, ethyl ester
[Molecular Formula]

C6H8N2O3
[MDL Number]

MFCD00020698
[MOL File]

85230-37-1.mol
[Molecular Weight]

156.14
Chemical PropertiesBack Directory
[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
Safety DataBack Directory
[Symbol(GHS) ]


GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P501-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
[HS Code ]

2933199090
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate(85230-37-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

Diethyl oxalacetate sodium salt

40876-98-0

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

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
85230-37-1 suppliers list
Company Name: Capot Chemical Co.,Ltd.
Tel: +86-(0)57185586718; +8613336195806 , +8613336195806
Website: http://www.capot.com
Company Name: Jinan Carbotang Biotech Co.,Ltd.
Tel: +8615866703830 , +8615866703830
Website: https://www.chemicalbook.com/ShowSupplierProductsList31189/0.htm
Company Name: Accela ChemBio Inc.
Tel: +1-858-6993322
Website: www.accelachem.com/
Company Name: Alchem Pharmtech,Inc.
Tel: 8485655694
Website: www.chemicalbook.com/ShowSupplierProductsList454175/0_EN.htm
Company Name: Nanjing jinheyou Trading Co., Ltd.
Tel: 15705188088
Website: https://www.chemicalbook.com/manufacturer/nanjing-jinheyou-trading-190/
Company Name: Career Henan Chemica Co
Tel: +86-0371-86658258 +8613203830695 , +8613203830695
Website: www.coreychem.com/
Company Name: Blocksynth Pharmaceutical Technology Co.,Ltd
Tel: 0086-19817745290; +8619817745290 , +8619817745290
Website: http://www.blocksynth.com/
Company Name: Dayang Chem (Hangzhou) Co.,Ltd.
Tel: +86-0571-88938639 +8617705817739 , +8617705817739
Website: www.dycnchem.com/
Company Name: PT CHEM GROUP LIMITED
Tel: +86-85511178;
Website: https://www.chemicalbook.com/manufacturer/henan-lihao-chem-plant-25020/
Company Name: SUZHOU SENFEIDA CHEMICAL CO.,LTD
Tel: +86-0512-83500002 +8618662433356 , +8618662433356
Website: www.sfdchem.com/
Company Name: Nanjing TGpeptide
Tel: +86-13347807150
Website: tgpeptides.com/index.aspx
Company Name: Zibo Hangyu Biotechnology Development Co., Ltd
Tel: +86-0533-2185556 +8615965530500 , +8615965530500
Website: www.chemicalbook.com/manufacturer/hangyu-chemical-25178/
Company Name: Aladdin Scientific
Tel:
Website: www.aladdinsci.com/
Company Name: Suzhou ARTK Medchem Co., Ltd.
Tel: +86-512-68323658 +86-18168183658 , +86-18168183658
Website:
Company Name: Chongqing Chemdad Co., Ltd
Tel: +86-023-6139-8061 +86-86-13650506873 , +86-86-13650506873
Website: http://www.chemdad.com/
Company Name: Amadis Chemical Company Limited
Tel: 571-89925085
Website: http://www.amadischem.com
Company Name: ROSEWA HOLDING GROUP CO.,LIMITED
Tel: +86-023-62871537
Website: https://www.chemicalbook.com/ShowSupplierProductsList31018/0_EN.htm
Company Name: REDDY N REDDY PHARMACEUTICALS  
Tel: +91-9848096759
Website: www.reddynreddypharma.com
Tags:85230-37-1 Related Product Information
127107-23-7 13670-33-2 90902-84-4 51985-95-6 84547-84-2 101219-68-5 34052-90-9 356560-80-0 1063734-49-5 89-33-8

  • HomePage | Member Companies | Advertising | Contact us | Previous WebSite | MSDS | CAS Index | CAS DataBase | Privacy | Terms | About Us
  • All products displayed on this website are only for non-medical purposes such as industrial applications or scientific research, and cannot be used for clinical diagnosis or treatment of humans or animals. They are not medicinal or edible.
    According to relevant laws and regulations and the regulations of this website, units or individuals who purchase hazardous materials should obtain valid qualifications and qualification conditions.
  • Copyright © 2023 ChemicalBook All rights reserved.