ChemicalBook--->CAS DataBase List--->177760-52-0

177760-52-0

177760-52-0 Structure

177760-52-0 Structure
IdentificationMore
[Name]

ETHYL 2-AMINOOXAZOLE-4-CARBOXYLATE
[CAS]

177760-52-0
[Synonyms]

2-AMINOOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
ETHYL 2-AMINO-4-OXAZOLECARBOXYLATE
ETHYL 2-AMINOOXAZOLE-4-CARBOXYLATE
Ethyl 2-amino-1,3-oxazole-4-carboxylate
4-Oxazolecarboxylicacid,2-amino-,ethylester(9CI)
2-AMINOOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, 95+%
[Molecular Formula]

C6H8N2O3
[MDL Number]

MFCD06659907
[Molecular Weight]

156.14
[MOL File]

177760-52-0.mol
Chemical PropertiesBack Directory
[Melting point ]

124-128
[Boiling point ]

282.9±32.0 °C(Predicted)
[density ]

1.278±0.06 g/cm3(Predicted)
[storage temp. ]

Keep Cold
[form ]

solid
[pka]

2.82±0.10(Predicted)
[Appearance]

Off-white to light yellow Solid
[InChI]

InChI=1S/C6H8N2O3/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8)
[InChIKey]

NBABLVASYFPOEV-UHFFFAOYSA-N
[SMILES]

O1C=C(C(OCC)=O)N=C1N
[CAS DataBase Reference]

177760-52-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Safety Statements ]

24/25
[WGK Germany ]

3
[Hazard Note ]

Harmful/Irritant/Keep Cold
[HazardClass ]

IRRITANT
[HS Code ]

29349990
Hazard InformationBack Directory
[Uses]

Ethyl 2-aminooxazole-4-carboxylate is an intermediate used in the preparation of inhibitors of Akt activity useful in the treatment of cancer and arthritis.
[Synthesis]

Ethyl bromopyruvate

70-23-5

Urea

57-13-6

ETHYL 2-AMINOOXAZOLE-4-CARBOXYLATE

177760-52-0

General procedure for the synthesis of ethyl 2-aminooxazole-4-carboxylate from ethyl 3-bromopyruvate and urea: ethyl 3-bromopyruvate (50.2 g, 257.2 mmol) was dissolved in ethanol and urea (23.2 g, 385.8 mmol) was added with stirring. The reaction mixture was heated to reflux overnight. After completion of the reaction, the solvent was removed by concentration under reduced pressure. The obtained residue was dissolved in a solvent mixture of ethyl acetate and water to separate the organic and aqueous layers. The aqueous layer was extracted with ethyl acetate. All organic layers were combined, washed sequentially with saturated sodium chloride solution and dried over anhydrous magnesium sulfate. After filtration, the organic phase was concentrated under reduced pressure to afford the target product ethyl 2-aminooxazole-4-carboxylate in 85% yield. The structure of the product was confirmed by nuclear magnetic resonance (NMR) and mass spectrometry (MS) analyses.LCMS (ESI+) m/z: 157.1 ([M+H]+).

[References]

[1] Patent: US2009/23707, 2009, A1. Location in patent: Page/Page column 33-34
[2] Patent: WO2017/17631, 2017, A2. Location in patent: Paragraph 00382
[3] European Journal of Medicinal Chemistry, 2019, p. 80 - 108
[4] Patent: WO2007/146066, 2007, A2. Location in patent: Page/Page column 156-157
[5] Journal of Medicinal Chemistry, 2010, vol. 53, # 9, p. 3814 - 3830
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 2-AMINOOXAZOLE-4-CARBOXYLATE(177760-52-0)1HNMR
177760-52-0 suppliers list
Company Name: Shanghai Jian Chao Chemical Technology Co., Ltd.  Gold
Telephone: 150-2103-5486 18017383231
Website:
Company Name: Shaoyuan Technology (Shanghai) Co., Ltd.  Gold
Telephone: 021-50795510 4000665055
Website: https://www.shao-yuan.com
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Wuhan Chemwish Technology Co., Ltd  
Telephone: 86-027-67849912
Website: www.chemwish.com
Company Name: Capot Chemical Co., Ltd  
Telephone: +86 (0) 571 85 58 67 18
Website: www.capotchem.com
Company Name: JinYan Chemicals(ShangHai) Co.,Ltd.  
Telephone: 13817811078
Website: www.jingyan-chemical.com
Company Name: Jia Xing Isenchem Co.,Ltd  
Telephone: 0573-85285100 18627885956
Website: https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm
Company Name: Shanghai Yuanding Chem. Sci. & Tech. Co., Ltd.  
Telephone: 21-57721279 18121011378
Website: http://www.shydtec.com
Company Name: Nanjing Chemlin Chemical Co., Ltd  
Telephone: 025-83697070 13770331960
Website: www.echemlin.cn
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Shanghai Ennopharm Co., Ltd.  
Telephone: +86 (21) 6435-5022
Website: www.chemicalbook.com/ShowSupplierProductsList13640/0_EN.htm
Company Name: Tianjin heowns Biochemical Technology Co., Ltd.  
Telephone: 400 638 7771
Website: www.heowns.com
Company Name: Shanghai Sphchem Co., Ltd.  
Telephone: 021-56491756 13512199871
Website: http://www.panhongchem.com
Company Name: Chengdu Forest Science and Technology Development Co., Ltd.  
Telephone: 18030648795 18030648795
Website: www.cdforestchem.com
Company Name: Wuhan TCASChem Technology Co., Ltd.  
Telephone: 027-86697669 13986148687
Website: https://www.tcaschem.com
Company Name: Shanghai Topbiochem Technology Co., Ltd  
Telephone: +86-21-60341587
Website: www.topbiochem.com
Tags:177760-52-0 Related Product Information
35629-72-2 460081-18-9 177760-52-0 5398-36-7 32955-21-8