4653-08-1
基本信息
4-氧-4-(2-噻吩)丁酸
4-羰基-4-(2-噻吩基)丁酸
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
物理化学性质
| 熔点 | 118-121 °C(lit.) |
| 沸点 | 400.5±25.0 °C(Predicted) |
| 密度 | 1.334±0.06 g/cm3(Predicted) |
| 储存条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 酸度系数(pKa) | 4.44±0.17(Predicted) |
| 外观 | 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 数据库 | 4653-08-1(CAS DataBase Reference) |
安全数据
| 危险性符号(GHS) | ![]() GHS07 |
| 警示词 | 警告 |
| 危险性描述 | H315-H319-H335 |
| 防范说明 | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| 危险品标志 | Xi |
| 危险类别码 | R36/37/38 |
| 安全说明 | S26-S36 |
| WGK Germany | 3 |
| TSCA | Yes |
| 危险等级 | IRRITANT |
| 海关编码 | 29349990 |
| 存储类别 | 11 - Combustible Solids |
| 危险性类别 | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
制备方法
188290-36-0
108-30-5
4653-08-1
以化合物(CAS:188290-36-0)和丁二酸酐为原料合成3-(2-噻吩甲酰基)丙酸的一般步骤:将噻吩(5.0 g,0.059 mol)和琥珀酸酐(7.13 g,0.0713 mol)溶于二氯乙烷(50 mL)中。在室温下加入氯化铝(17.43 g,0.131 mol),并在搅拌下将所得混合物加热回流1小时。将反应混合物冷却至室温,用30 mL 1:1水和浓盐酸的混合物稀释。搅拌10分钟后,通过抽滤分离固体,用水和稀盐酸(50 mL)洗涤。将固体在室温下干燥,得到9.8 g(产率89%)的3-(2-噻吩甲酰基)丙酸,熔点为103-107℃。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)。
参考文献:
[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
知名试剂公司产品信息
3-(2-噻吩甲基)丙酸价格(试剂级)
| 报价日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
| 2026/09/15 | XW02465308102 | 4-氧-4-(2-噻吩)丁酸 | 4653-08-1 | 25G | 506元 |
| 2026/09/15 | XW02465308101 | 4-氧-4-(2-噻吩)丁酸 | 4653-08-1 | 10G | 246元 |
| 2024/04/30 | L03100 | 4-羰基-4-(2-噻吩基)丁酸, 98% 4-Oxo-4-(2-thienyl)butyric acid, 98% | 4653-08-1 | 5g | 821元 |
