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3443-45-6

中文名稱 1-芘丁酸
英文名稱 1-PYRENEBUTYRIC ACID
CAS 3443-45-6
EINECS 編號(hào) 222-354-7
分子式 C20H16O2
MDL 編號(hào) MFCD00004141
分子量 288.34
MOL 文件 3443-45-6.mol
更新日期 2025/08/06 16:46:04
3443-45-6 結(jié)構(gòu)式 3443-45-6 結(jié)構(gòu)式

基本信息

中文別名
1-吡啶酸
1-芘丁酸
1-芘丁酸,97%
英文別名
1-PYRENEBUTANOIC ACID
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
所屬類別
化學(xué)試劑:多環(huán)化合物

物理化學(xué)性質(zhì)

熔點(diǎn)184-186 °C(lit.)
沸點(diǎn)370.57°C (rough estimate)
密度1.1742 (rough estimate)
折射率1.4800 (estimate)
儲(chǔ)存條件Store below +30°C.
溶解度可溶于DMSO(輕微)、甲醇(輕微、加熱)
酸度系數(shù)(pKa)4.76±0.10(Predicted)
形態(tài)結(jié)晶粉末
顏色淡黃色或黃米色
外觀off white solid
水溶解性Partially soluble in water.
BRN2140554
InChIInChI=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)
InChIKeyQXYRRCOJHNZVDJ-UHFFFAOYSA-N
SMILESC1(CCCC(O)=O)=C2C3=C4C(C=C2)=CC=CC4=CC=C3C=C1
CAS 數(shù)據(jù)庫3443-45-6(CAS DataBase Reference)
EPA化學(xué)物質(zhì)信息1-Pyrenebutanoic acid (3443-45-6)

安全數(shù)據(jù)

危險(xiǎn)性符號(hào)(GHS)GHS hazard pictograms
GHS07
警示詞警告
危險(xiǎn)性描述H315-H319-H335
危險(xiǎn)品標(biāo)志Xi
危險(xiǎn)類別碼R36/37/38
安全說明S26-S36
危險(xiǎn)品運(yùn)輸編號(hào)UN 3077 9/PG 3
WGK Germany3
TSCAYes
海關(guān)編碼29163990

應(yīng)用領(lǐng)域

用途一
熒光探針。

制備方法

方法1
4-氧代-4-芘-1-基丁酸

7499-60-7

1-芘丁酸

3443-45-6

以4-氧代-4-(芘-1-基)丁酸為原料合成1-芘丁酸的一般步驟:將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。將反應(yīng)混合物加熱回流2小時(shí),隨后倒入冰鹽酸(25%)中,生成黃色沉淀。過濾收集固體,并通過乙醇重結(jié)晶,得到570mg (71%產(chǎn)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): 計(jì)算值288.1150; 實(shí)測值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。

參考文獻(xiàn):

[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

1-芘丁酸價(jià)格(試劑級(jí))
報(bào)價(jià)日期產(chǎn)品編號(hào)產(chǎn)品名稱CAS號(hào)包裝價(jià)格
2025/05/22A177601-芘丁酸, 97%
1-Pyrenebutyric acid, 97%
3443-45-61g370元
2025/05/22A177601-芘丁酸, 97%
1-Pyrenebutyric acid, 97%
3443-45-65g1553元
2025/05/22418511-芘丁酸
1-Pyrenebutyric acid, 97+%, Thermo Scientific Chemicals
3443-45-61g662元
"3443-45-6" 相關(guān)產(chǎn)品信息
79-10-7 9003-05-8 56-12-2 129-00-0 3443-45-6