4-Oxo-4-(2-thienyl)butyric acid
- CAS No.
- 4653-08-1
- Chemical Name:
- 4-Oxo-4-(2-thienyl)butyric acid
- Synonyms
- 4-OXO-4-(THIOPHEN-2-YL)BUTANOIC ACID;4-Oxo-4-(thiophen-2-yl);3-(2-THENOYL)PROPIONIC ACID;3-(2-Theonyl)Propionic acid;γ-Oxo-2-thiophenebutyric acid;γ-Oxo-2-thiophenebutanoic acid;4-OXO-4-THIEN-2-YLBUTANOIC ACID;3-(ALPHA-THENOYL)PROPIONIC ACID;4-Oxo-4-(2-thienyl)butyric acid;4-OXO-4-(2-THIENYL)BUTANOIC ACID
- CBNumber:
- CB3674958
- Molecular Formula:
- C8H8O3S
- Molecular Weight:
- 184.21
- MDL Number:
- MFCD00022502
- MOL File:
- 4653-08-1.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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) |
| Appearance | White to off-white Solid |
| 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) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| 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 |
|||||||||
| NFPA 704 |
|
4-Oxo-4-(2-thienyl)butyric acid price More Price(59)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 574406 | 4-Oxo-4-(2-thienyl)butyric acid 97% | 4653-08-1 | 5g | $77.1 | 2023-06-20 | Buy |
| Usbiological | 286316 | 4-Oxo-4-(2-thienyl)butyric acid Asreported | 4653-08-1 | 5g | $395 | 2026-06-03 | Buy |
| Usbiological | 286316 | 4-Oxo-4-(2-thienyl)butyric acid Asreported | 4653-08-1 | 10g | $603 | 2026-06-03 | Buy |
| Usbiological | 286316 | 4-Oxo-4-(2-thienyl)butyric acid Asreported | 4653-08-1 | 25g | $852 | 2026-06-03 | Buy |
| Activate Scientific | AS22124 | 3-(2-Thenoyl)propionic Acid 98% | 1g | $23 | 2026-06-04 | Buy |
4-Oxo-4-(2-thienyl)butyric acid Chemical Properties,Uses,Production
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
188290-36-0
108-30-5
4653-08-1
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
4-Oxo-4-(2-thienyl)butyric acid Preparation Products And Raw materials
Raw materials
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Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| Shanghai Sinch Parmaceuticals Tech. Co. Ltd. | +86-21-54098501 | sales@sinch.com.cn | China | 11592 | 64 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Tianjin heowns Biochemical Technology Co., Ltd. | 400 638 7771 | sales@heowns.com | China | 14412 | 57 |
| Jinan Type Chemical Co., Ltd. | 0531-88062576 13791023792 | sales@typechem.com | China | 76 | 58 |
| Chengdu Ai Keda Chemical Technology Co., Ltd. | 4008-755-333 18080918076 | 800078821@qq.com | China | 9706 | 55 |
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