| Identification | More | [Name]
4-OXO-4-(2-THIENYL)BUTYRIC ACID | [CAS]
4653-08-1 | [Synonyms]
3-(2-THENOYL)PROPIONIC ACID
3-(ALPHA-THENOYL)PROPIONIC ACID
4-OXO-4-(2-THIENYL)BUTANOIC ACID
4-OXO-4-(2-THIENYL)BUTYRIC ACID
4-OXO-4-THIEN-2-YLBUTANOIC ACID
4-OXO-4-(THIOPHEN-2-YL)BUTANOIC ACID
4-OXO-4-THIOPHEN-2-YL-BUTYRIC ACID
4-OXO-4-(2-THIENYL)BUTYRIC ACID 95%
4-(2-Thienyl)-4-oxo-butyric acid, GC 97%
4-(2-THIENYL)-4-OXO-BUTYRIC ACID, 97 %
γ-Oxo-2-thiophenebutanoic acid
γ-Oxo-2-thiophenebutyric acid | [EINECS(EC#)]
225-089-5 | [Molecular Formula]
C8H8O3S | [MDL Number]
MFCD00022502 | [Molecular Weight]
184.21 | [MOL File]
4653-08-1.mol |
| Chemical Properties | Back Directory | [Appearance]
Beige crystalline powder | [Melting point ]
118-121 °C(lit.) | [Boiling point ]
400.5±25.0 °C(Predicted) | [density ]
1.334±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [pka]
4.44±0.17(Predicted) | [BRN ]
133870 | [InChI]
1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11) | [InChIKey]
ULJMYWHLMLRYSO-UHFFFAOYSA-N | [SMILES]
OC(=O)CCC(=O)c1cccs1 | [CAS DataBase Reference]
4653-08-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [TSCA ]
Yes | [HazardClass ]
IRRITANT | [HS Code ]
29349990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Beige crystalline powder | [Definition]
ChEBI: A 4-oxo monocarboxylic acid that is butyric acid bearing oxo and 2-thienyl groups at position 4. | [Synthesis]
General procedure for the synthesis of 3-(2-thiophenecarbonyl)propionic acid from the compound (CAS:188290-36-0) and succinic anhydride: thiophene (5.0 g, 0.059 mol) and succinic anhydride (7.13 g, 0.0713 mol) were dissolved in ethylene dichloride (50 mL). Aluminum chloride (17.43 g, 0.131 mol) was added at room temperature and the resulting mixture was heated to reflux for 1 hour with stirring. The reaction mixture was cooled to room temperature and diluted with 30 mL of a 1:1 mixture of water and concentrated hydrochloric acid. After stirring for 10 min, the solid was separated by diafiltration and washed with water and dilute hydrochloric acid (50 mL). The solid was dried at room temperature to give 9.8 g (89% yield) of 3-(2-thiophenecarbonyl)propionic acid with a melting point of 103-107°C. 1H NMR (CDCl3, δ): 7.69 (dd, 1H), 7.58 (dd, 1H), 7.07 (dd, 1H), 3.9 (bs, 1H), 3.23 (t, 2H), 2.74 (t, 2H). 2H). | [References]
[1] Patent: WO2004/26848, 2004, A1. Location in patent: Page 33
[2] European Journal of Pharmacology, 2014, vol. 727, # 1, p. 1 - 7
[3] Patent: CN108341797, 2018, A. Location in patent: Paragraph 0008; 0017
[4] Patent: WO2010/76188, 2010, A1. Location in patent: Page/Page column 17-19
[5] Archiv der Pharmazie, 1988, vol. 321, # 10, p. 735 - 738 |
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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