磷酸异丙酯(单双酯混合物)
| 中文名称 | 磷酸异丙酯(单双酯混合物) |
|---|---|
| 中文同义词 | 磷酸异丙酯(单双酯混合物);3-(4-羟基甲基)丙酸;3-(4-羟基-3-甲氧苯基)丙酸;3-(4-羟基-3-甲氧基苯基)丙酸,97%;氢化阿魏酸;3-(4-羟基-3-甲氧基苯基)丙酸;4-羟基-3-甲氧基苯基丙酸;二氢阿魏酸 |
| 英文名称 | 3-(4-HYDROXY-3-METHOXYPHENYL)PROPIONIC ACID |
| 英文同义词 | Benzenepropanoic acid, 4-hydroxy-3-methoxy-;3-Methoxyphloretic Acid;Dihydroconiferylic Acid;Shorbic Acid;β-3-Methoxy-4-hydroxyphenylpropionic acid;3-(4-HYDROXY-3-METHOXYPHENYL)PROPIONIC ACID 98%;3-(4-Hydroxy-3-methoxyphenyl)propionic acid >=96.0% (T);4-HYDROXY-3-METHOXYHYDROCINNAMIC ACID |
| CAS号 | 1135-23-5 |
| 分子式 | C10H12O4 |
| 分子量 | 196.2 |
| EINECS号 | 214-489-5 |
| 相关类别 | 小分子抑制剂;羧酸;小分子抑制剂，天然产物;杂质对照品;standard material,plant extracts;Aromatic Cinnamic Acids, Esters and Derivatives;Aromatics;Metabolites & Impurities;Aromatics, Metabolites & Impurities;Inhibitors |
| Mol文件 | 1135-23-5.mol |
| 结构式 |  |
磷酸异丙酯(单双酯混合物) 性质
| 熔点 | 87-93 °C |
|---|---|
| 沸点 | 120-130 °C(Press: 0.5 Torr) |
| 密度 | 1.259±0.06 g/cm3(Predicted) |
| 储存条件 | Storage temp. 2-8°C |
| 溶解度 | 溶于二甲基亚砜和甲醇。 |
| 酸度系数(pKa) | 4.73±0.10(Predicted) |
| 形态 | 粉末晶体 |
| 颜色 | 白色至浅黄色至浅橙色 |
| BRN | 2110370 |
| InChI | InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13) |
| InChIKey | BOLQJTPHPSDZHR-UHFFFAOYSA-N |
| SMILES | C1(CCC(O)=O)=CC=C(O)C(OC)=C1 |
| LogP | 0.810 (est) |
| CAS 数据库 | 1135-23-5(CAS DataBase Reference) |
Uptake of hydroxycinnamic acids by control, organic anion transporter 1 (OAT1), OAT2, OAT3, and OAT4 over expressing 293H cells. In 293H control cells, there was significant uptake of Dihydroferulic acid. The uptake of Dihydroferulic acid is also enhanced ~2-fold in the OAT1-expressing cells.
Assessing the influence of an 11 weeks intervention with a resistant starch-enriched whole grain diet (HI-RS-WG, 25% RS) compared to a WG control diet (LOW-RS-WG, 6.9% RS) on serum profile of polyphenols (PPs) in 20 Zucker Diabetic Fatty rats. Five PPs were identified and quantified in serum samples of rats belonging to both intervention groups. HI-RS-WG rats had 2.6 folds higher serum concentrations of total PPs than LOW-RS-WG rats. An explorative data reduction approach, based on the Principal Component Analysis identified two principal components related to the gut microbiota fermentation and food intake, respectively. Results showed that the abundance of hippuric acid and Dihydroferulic acid in HI-RS-WG rats was explained by the stronger gut microbiota fermentation in those rats than in LOW-RS-WG rats.
1135-24-6
1135-23-5
以3-甲氧基-4-羟基苯基丙烯酸为原料合成磷酸异丙酯(单双酯混合物)的一般步骤如下：向搅拌的阿魏酸（25g，128.74mmol）在甲醇（200ml）中的悬浮液中加入Pd/C催化剂（3.75g）。将反应混合物置于1.2MPa氢气压力下，在50℃条件下氢化4小时。反应完成后，将混合物冷却至室温，过滤去除催化剂，并通过减压浓缩得到白色固体产物（25g，收率99%）。产物的结构通过1H NMR（400MHz，CDCl3）和ESI-MS进行确认：1H NMR δ 6.76（d, J = 7.8Hz, 1H），6.62（m, 2H），3.79（s, 3H），2.81（t, J = 7.7Hz, 2H），2.58（t, J = 7.7Hz, 2H）；ESI-MS m/z: 195.1 [M-H]。
参考文献：
[1] Advanced Synthesis and Catalysis, 2013, vol. 355, # 1, p. 81 - 86
[2] Tetrahedron Letters, 2010, vol. 51, # 44, p. 5753 - 5756
[3] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 13, p. 4462 - 4466
[4] European Journal of Medicinal Chemistry, 2014, vol. 87, p. 429 - 439
[5] Journal of the American Chemical Society, 2017, vol. 139, # 10, p. 3767 - 3773
安全信息
| 危险品标志 | Xn |
|---|---|
| 危险类别码 | 22-36/37/38 |
| 安全说明 | 26-36 |
| WGK Germany | 2 |
| 危险等级 | IRRITANT |
| 海关编码 | 29189900 |
| 存储类别 | 11 - 可燃固体 |
| 危险性类别 | 急性毒性 类别4 经口 眼部刺激 类别2 经皮刺激 类别2 特异性靶器官毒性-一次接触，类别3 |
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