3443-45-6
基本信息
1-芘丁酸
1-芘丁酸,97%
1-PYRENEBUTYRIC ACID
4-(1-PYRENYL)BUTYRIC ACID
4-(PYRENE-1-YL)-N-BUTYRIC ACID
1-pyrenebutyrate
pyrene-1-butyric acid
1-PYRENEBUTYRIC ACID, FOR FLUORESCENCE
1-Pyrenebutyricacid,97%
Pyrene-3-butyric acid.
1-Pyrenylbutyric acid
4-(Pyren-1-yl)butyric acid
4-(Pyrene-1-yl)butanoic acid
4-(Pyrene-3-yl)butanoic acid
物理化学性质
| 熔点 | 184-186 °C(lit.) |
| 沸点 | 370.57°C (rough estimate) |
| 密度 | 1.1742 (rough estimate) |
| 折射率 | 1.4800 (estimate) |
| 储存条件 | Store below +30°C. |
| 溶解度 | 可溶于DMSO（轻微）、甲醇（轻微、加热） |
| 酸度系数(pKa) | 4.76±0.10(Predicted) |
| 形态 | 结晶粉末 |
| 颜色 | 淡黄色或黄米色 |
| 外观 | off white solid |
| 水溶解性 | Partially soluble in water. |
| BRN | 2140554 |
| InChI | InChI=1S/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22) |
| InChIKey | QXYRRCOJHNZVDJ-UHFFFAOYSA-N |
| SMILES | C1(CCCC(O)=O)=C2C3=C4C(C=C2)=CC=CC4=CC=C3C=C1 |
| CAS 数据库 | 3443-45-6(CAS DataBase Reference) |
| EPA化学物质信息 | 1-Pyrenebutanoic acid (3443-45-6) |
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 |
| 危险品运输编号 | UN 3077 9/PG 3 |
| WGK Germany | 3 |
| TSCA | Yes |
| 海关编码 | 29163990 |
应用领域
制备方法
7499-60-7
3443-45-6
以4-氧代-4-(芘-1-基)丁酸为原料合成1-芘丁酸的一般步骤：将1g (2.78mmol) 4-氧代-4-(芘-1-基)丁酸溶解于30mL二甘醇中，加入0.59g (10mmol) 水合肼和0.56g (10mmol) KOH。将反应混合物加热回流2小时，随后倒入冰盐酸(25%)中，生成黄色沉淀。过滤收集固体，并通过乙醇重结晶，得到570mg (71%产率) 4-(芘-1-基)丁酸。分子式C20H16O2，分子量288g/mol。EI-MS: m/z (%) = 289 (16) [MH+], 288 (62) [M], 216 (20), 215 (100), 213 (11)。高分辨EI-MS (C20H16O2): 计算值288.1150; 实测值288.1150。1H-NMR ([D6]-DMSO): δ (ppm) = 8.50-7.92 (9H, m, CHarom), 3.36 (2H, m, CH2C16H9), 2.41 (2H, m, CH2CO2H), 2.04 (2H, m, CH2)。1H-NMR (CDCl3): δ (ppm) = 8.32-7.86 (9H, m, CHarom), 3.42 (2H, t, CH2C16H9, 3JHH = 7.57Hz), 2.51 (2H, t, CH2CO2H, 3JHH = 7.00Hz), 2.23 (2H, m, CH2, 3JHH = 7.57Hz, 3JHH = 7.00Hz)。13C-NMR ([D6]-DMSO): δ (ppm) = 174.74 (1CO), 136.39-123.39 (9 CHarom, 7 Carom), 33.64-26.98 (1CH2CO2H, 2CH2)。13C-NMR (CDCl3): δ (ppm) = 177.48 (1CO), 135.25-123.04 (9 CHarom, 7 Carom), 33.21-26.46 (1CH2CO2H, 2CH2)。IR (KBr): ν (cm-1) = 3447w, 3037w, 2950m, 2934w, 2874w, 1695s, 1431w, 1275m, 1206m, 918w, 846s, 711w。
参考文献：
[1] Patent: US7301043, 2007, B2. Location in patent: Page/Page column 7-8
[2] ACS Catalysis, 2016, vol. 6, # 11, p. 7398 - 7408
[3] New Journal of Chemistry, 2008, vol. 32, # 8, p. 1438 - 1448
[4] Journal of the American Chemical Society, 1941, vol. 63, p. 1682,1684
[5] Justus Liebigs Annalen der Chemie, 1937, vol. 531, p. 1,128
图谱信息
1-芘丁酸(3443-45-6)质谱(MS)1-芘丁酸(3443-45-6)核磁图(1HNMR)1-芘丁酸(3443-45-6)核磁图(13CNMR)1-芘丁酸(3443-45-6)红外图谱(IR1)1-芘丁酸(3443-45-6)红外图谱(IR2)知名试剂公司产品信息
1-Pyrenebutyric acid, 99%(3443-45-6) Acros Organics
1-Pyrenebutyric Acid,>98.0%(GC)(T)(3443-45-6) TCI Shanghai
1-芘丁酸价格(试剂级)
| 报价日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
| 2026/09/15 | HY-W103047 | 1-芘丁酸 1-Pyrenebutyric acid | 3443-45-6 | 1 g | 100元 |
| 2026/09/15 | HY-W103047 | 1-芘丁酸 1-Pyrenebutyric acid | 3443-45-6 | 10 mM * 1 mL in DMSO | 110元 |
| 2026/09/15 | HY-W103047 | 1-芘丁酸 1-Pyrenebutyric acid | 3443-45-6 | 5 g | 210元 |