5,11,17,23-tetraamino-25,26,27,28-tetrapentoxy-calix<4>arene | 176951-42-1
中文名称
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中文别名
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英文名称
5,11,17,23-tetraamino-25,26,27,28-tetrapentoxy-calix<4>arene
英文别名
5,11,17,23-tetrakis(amino)-25,26,27,28-tetrakis(pentoxy)calix[4]arene；25,26,27,28-Tetrapentoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetramine
CAS
176951-42-1
化学式
C48H68N4O4
mdl
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分子量
765.092
InChiKey
MILFXLSPSDIJJB-UHFFFAOYSA-N
BEILSTEIN
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EINECS
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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沸点：957.2±65.0 °C(Predicted)
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密度：1.090±0.06 g/cm3(Predicted)
计算性质
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辛醇/水分配系数(LogP)：12
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重原子数：56
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可旋转键数：20
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环数：5.0
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sp3杂化的碳原子比例：0.5
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拓扑面积：141
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氢给体数：4
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氢受体数：8
上下游信息
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下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— 5,11,17,23-tetratolylurea-25,26,27,28-tetrapentoxycalix[4]arene —— C80H96N8O8 1297.69 —— tert-butyl N-[11-amino-17,23-bis[(2-methylpropan-2-yl)oxycarbonylamino]-25,26,27,28-tetrapentoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]carbamate 224563-88-6 C63H92N4O10 1065.44 —— 5,11,17,23-tetra-(tert-butyloxycarbonylamino)-25,26,27,28-tetra-pentyloxycalix[4]arene 224564-21-0 C68H100N4O12 1165.56 —— tert-butyl N-(11,17,23-triamino-25,26,27,28-tetrapentoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)carbamate 224564-08-3 C53H76N4O6 865.21 —— tert-butyl N-[11,17-diamino-23-[(2-methylpropan-2-yl)oxycarbonylamino]-25,26,27,28-tetrapentoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]carbamate 224563-98-8 C58H84N4O8 965.327 —— 1-[4-(2-Hexyloctoxy)phenyl]-3-[11,17,23-tris[[4-(2-hexyloctoxy)phenyl]carbamoylamino]-25,26,27,28-tetrapentoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]urea 931102-12-4 C132H200N8O12 2091.09 —— tert-butyl N-[11-acetamido-17,23-bis[(2-methylpropan-2-yl)oxycarbonylamino]-25,26,27,28-tetrapentoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]carbamate 224563-92-2 C65H94N4O11 1107.48 —— tert-butyl N-[11,17-diacetamido-23-[(2-methylpropan-2-yl)oxycarbonylamino]-25,26,27,28-tetrapentoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]carbamate 224564-00-5 C62H88N4O10 1049.4 —— tert-butyl N-(11,17,23-triacetamido-25,26,27,28-tetrapentoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)carbamate 224564-10-7 C59H82N4O9 991.321 —— 2,6,41,45-Tetrapentoxy-18,29,57,68-tetraoxa-10,12,35,37,49,51,74,76-octazaundecacyclo[44.32.1.13,77.15,9.17,40.113,17.130,34.138,42.144,48.152,56.169,73]octaoctaconta-1(78),2,5,7,9(88),11,13(87),14,16,30,32,34(86),35,38(84),39,41,44,46,48(83),50,52(82),53,55,69,71,73(81),74,77(80)-octacosaene-11,36,50,75-tetrol 729581-52-6 C96H124N8O12 1582.09 —— N'-(3-hex-5-enoxyphenyl)-N-[11,17,23-tris[[N-(3-hex-5-enoxyphenyl)-C-hydroxycarbonimidoyl]amino]-25,26,27,28-tetrapentoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]carbamimidic acid 729581-47-9 C100H128N8O12 1634.16 —— 25,26,27,28-tetrapentoxy-11-N,23-N-ditritylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetramine 935739-56-3 C86H96N4O4 1249.73 —— N-[25,26,27,28-tetrapentoxy-11,17,23-tris(1H-pyrrole-2-carbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]-1H-pyrrole-2-carboxamide 1186425-43-3 C68H80N8O8 1137.43 —— N'-[3,5-bis(pent-4-enoxy)phenyl]-N-[11,17,23-tris[[N-[3,5-bis(pent-4-enoxy)phenyl]-C-hydroxycarbonimidoyl]amino]-25,26,27,28-tetrapentoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]carbamimidic acid 1189177-25-0 C116H152N8O16 1914.53 —— tert-butyl N-[11,17-bis[(4-methylbenzoyl)amino]-23-[(2-methylpropan-2-yl)oxycarbonylamino]-25,26,27,28-tetrapentoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]carbamate 224564-23-2 C74H96N4O10 1201.6 —— 5,11,17,23-tetratosylurea-25,26,27,28-tetrapentoxycalix[4]arene 729581-50-4 C80H96N8O16S4 1553.95 - 1
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反应信息
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作为反应物：描述：5,11,17,23-tetraamino-25,26,27,28-tetrapentoxy-calix<4>arene 在 potassium carbonate 作用下， 以 乙酸乙酯 为溶剂， 反应 0.33h， 生成 2-[diethoxy(oxido)phosphaniumyl]-N-[11,17,23-tris[[2-[diethoxy(oxido)phosphaniumyl]acetyl]amino]-25,26,27,28-tetrapentoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]acetamide参考文献：名称：刚性的杯芳烃在宽边带有四个氨基甲酰基甲基氧化膦或氨基甲酰基甲基磷酰基功能摘要：由杯[4]亚芳基双（冠醚）4a制备了构型刚性的四CMPO衍生物，其中相邻的氧在狭窄的边缘被两个二甘醇链桥连。用CMPO-活性酯5b将四胺4c酰化得到四膦氧化物6a，而通过四溴乙酰氨基衍生物7与PhP（OEt）2或P（OEt）3的Arbuzov反应获得四膦酸酯6b和四膦酸酯6c。检查了这些CMPO衍生物的萃取能力，以选择镧系元素和act系元素，并与衍生自杯[4]亚芳基四戊基醚的类似化合物1b，10b和10d进行比较。所有刚性化的双（冠醚）配体均比戊醚配体更有效，且仅需浓度的1/10（cL = 10 4M）即可获得相同的分配系数，而CMPO本身的浓度是2,000倍。这可能是由于刚性的连接功能更好地进行了预组织的结果，而刚性却没有改变所观察到的对m（DAm / DEu = 9-19）和轻镧系元素对重镧系元素的选择性。NMR弛豫滴定曲线表明，Gd3 +与配体6a的配合物在无水乙腈中在很大的配体：金DOI：10.1002/1521-3765(20000616)6:12<2135::aid-chem2135>3.0.co;2-a
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作为产物：描述：5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene 在 乙醇 、 palladium 10% on activated carbon 、 硝酸 、 sodium hydride 、 溶剂黄146 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 5,11,17,23-tetraamino-25,26,27,28-tetrapentoxy-calix<4>arene参考文献：