Aluminum tri-sec-butoxide

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氧化物
• 英文名称: Aluminum tri-sec-butoxide
• 英文别名: tri(butan-2-yloxy)alumane
• 化学式: C₁₂H₂₇AlO₃
• 分子量: 246.32
• InChiKey: WOZZOSDBXABUFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.05
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  69.2
• 氢给体数：
  0
• 氢受体数：
  3

ADMET

代谢

铝通过口服或吸入暴露的吸收情况很差，基本上不通过皮肤吸收。铝的生物利用度受到铝化合物的影响，以及饮食成分的存在，这些成分可以与铝形成络合物，增强或抑制其吸收。铝在血液中与各种配体结合，并分布到每个器官，其中在骨骼和肺组织中的浓度最高。在生物体中，铝被认为存在四种不同形式：作为自由离子，作为低分子量络合物，作为物理结合的大分子络合物，以及作为共价结合的大分子络合物。吸收的铝主要通过尿液排出，其次是在胆汁中，而未吸收的铝则通过粪便排出。(L739)

Aluminum is poorly absorbed following either oral or inhalation exposure and is essentially not absorbed dermally. The bioavailability of aluminum is strongly influenced by the aluminum compound and the presence of dietary constituents which can complex with aluminum and enhance or inhibit its absorption. Aluminum binds to various ligands in the blood and distributes to every organ, with highest concentrations found in bone and lung tissues. In living organisms, aluminum is believed to exist in four different forms: as free ions, as low-molecular-weight complexes, as physically bound macromolecular complexes, and as covalently bound macromolecular complexes. Absorbed aluminum is excreted principally in the urine and, to a lesser extent, in the bile, while unabsorbed aluminum is excreted in the faeces. (L739)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

铝的主要靶器官是中枢神经系统和骨骼。铝与饮食中的磷结合，并影响胃肠道对磷的吸收。体内磷负荷的降低会导致骨软化（由于骨骼矿化缺陷导致的骨质疏松）和佝偻病。铝的神经毒性被认为涉及多种机制。细胞骨架蛋白功能的改变，如磷酸化、蛋白水解、运输和合成的改变，被认为是其中一个原因。铝可能通过影响血脑屏障的通透性、胆碱能活性、信号转导途径、脂质过氧化以及损害神经元的谷氨酸一氧化氮-环磷酸鸟苷酸途径，以及由于类似的配位化学性质和随后的竞争性相互作用而干扰必需微量元素的代谢，从而诱导神经行为效应。有研究表明，铝与雌激素受体的相互作用增加了雌激素相关基因的表达，从而促进了乳腺癌的进展（A235），但研究尚未能够建立铝与乳腺癌风险增加之间的明确联系（A15468）。某些铝盐通过激活炎症小体来诱导免疫反应。（L739, A235, A236）

The main target organs of aluminum are the central nervous system and bone. Aluminum binds with dietary phosphorus and impairs gastrointestinal absorption of phosphorus. The decreased phosphate body burden results in osteomalacia (softening of the bones due to defective bone mineralization) and rickets. Aluminum's neurotoxicity is believed to involve several mechanisms. Changes in cytoskeletal protein functions as a results of altered phosphorylation, proteolysis, transport, and synthesis are believed to be one cause. Aluminum may induce neurobehavioral effects by affecting permeability of the blood-brain barrier, cholinergic activity, signal transduction pathways, lipid peroxidation, and impair neuronal glutamate nitric oxide-cyclic GMP pathway, as well as interfere with metabolism of essential trace elements because of similar coordination chemistries and consequent competitive interactions. It has been suggested that aluminum's interaction with estrogen receptors increases the expression of estrogen-related genes and thereby contributes to the progression of breast cancer (A235), but studies have not been able to establish a clear link between aluminum and increased risk of breast cancer (A15468). Certain aluminum salts induce immune responses by activating inflammasomes. (L739, A235, A236)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

未列入国际癌症研究机构(IARC)名录。国际癌症研究机构将铝生产归类为对人类致癌(第1组)，但并未将铝本身视为人类致癌物。(L135)有人提出铝制止汗剂的使用与乳腺癌风险增加之间存在关联(A235)，但研究并未能确立明确的联系(A15468)。

Not listed by IARC. IARC classified aluminum production as carcinogenic to humans (Group 1), but did not implicate aluminum itself as a human carcinogen. (L135) A link between use of aluminum-containing antiperspirants and increased risk of breast cancer has been proposed (A235), but studies have not been able to establish a clear link (A15468).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

铝针对神经系统，导致神经系统性能下降，并与血脑屏障功能改变有关。体内铝的积累可能导致骨骼或脑部疾病。高水平的铝与阿尔茨海默病有关。少数人对铝过敏，在接触或摄入含有铝的产品时，会经历接触性皮炎、消化紊乱、呕吐或其他症状。

Aluminum targets the nervous system and causes decreased nervous system performance and is associated with altered function of the blood-brain barrier. The accumulation of aluminum in the body may cause bone or brain diseases. High levels of aluminum have been linked to Alzheimer's disease. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (L739, L740)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L739）；吸入（L739）

Oral (L739) ; inhalation (L739)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

吸入铝尘会导致咳嗽和胸部X光异常。一小部分人对铝过敏，在接触或摄入含有铝的产品时，会经历接触性皮炎、消化系统紊乱、呕吐或其他症状。

Inhalating aluminum dust causes coughing and abnormal chest X-rays. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (L739, L740)

来源:Toxin and Toxin Target Database (T3DB)

反应信息

• 作为反应物：
  描述：

  Aluminum tri-sec-butoxide 生成 水合α-氧化铝
  参考文献：
  名称：

  GIESELMANN, MARY J.;ANDERSON, MARC A., J. AMER. CERAM. SOC., 72,(1989) N, C. 980-985

  摘要：

  DOI：
• 作为产物：
  描述：

  monoaluminum phosphate 、 、 磷酸单乙酯,双去质子化形式 、 水 、 1-methoxyethanol 在 苯基三甲氧基硅烷 作用下， 反应 34.5h， 生成 Aluminum tri-sec-butoxide
  参考文献：
  名称：

  Metal phosphate sols, metal nanoparticles, metal-chalcogenide nanoparticles, and nanocomposites made therefrom

  摘要：

  本发明公开了一种金属磷酸盐胶体，其由至少一种金属氧化物、至少一种磷酸盐前驱体、至少一种有机硅烷和一种液体混合制成。本发明还公开了含有金属磷酸盐胶体和至少一种金属纳米粒子和金属硫属化物纳米粒子中至少一种的纳米复合材料。含有金属纳米粒子的纳米复合材料可以硫化以提供含有金属硫属化物纳米粒子的纳米复合材料。本发明还公开了包含介电材料，例如聚合物和至少一种金属磷酸盐胶体和纳米复合材料中至少一种的复合材料。

  公开号：

  US07410631B2
• 作为试剂：
  描述：

  2-chloro-5,12-naphthacenequinone 、 环己醇 在 氮气 、 四氢呋喃 、 水 、 盐酸 作用下， 以 Aluminum tri-sec-butoxide 为溶剂， 反应 54.0h， 以to afford 5.04 g of material的产率得到2-Chlorotetracene
  参考文献：
  名称：

  Acene-thiophene semiconductors

  摘要：

  本文介绍了一些有机半导体化合物，它们是作为有机半导体非常有用的。当这些化合物被用作有机薄膜晶体管的半导体层时，它们表现出与五环芴相当的器件特性，如载流子迁移率和开关比。同时，本文还描述了至少包含本发明化合物之一的半导体器件；以及包含这些半导体器件的物品，例如薄膜晶体管或晶体管阵列和电致发光灯。

  公开号：

  US20060033086A1

文献信息

• Organometallic compositions and polyisocyanate compositions containing them
  申请人：Imperial Chemical Industries PLC

  公开号：US20020188047A1

  公开（公告）日：2002-12-12

  An organometallic composition, suitable for use in curing polyisocyanate compositions, includes a complex of at least one metal selected from iron, cobalt and aluminum and at least one &bgr;-dicarbonyl compound wherein when the metal is iron (II) or cobalt (II) the molar ratio of &bgr;-dicarbonyl compound to metal is in the range from 2.1:1 to 10:1, and when the metal is aluminum (III), iron (III) or cobalt (III) the molar ratio of &bgr;-dicarbonyl compound to metal is in the range from 3.1:1 to 10:1. A polyisocyanate composition containing the organometallic composition and a process for binding lignocellulosic material is also described.

  一种有机金属化合物组合物，适用于固化聚异氰酸酯组合物，包括至少一种金属的配合物，所述金属选择自铁、钴和铝，并且至少含有一种β-二羰基化合物，其中当金属为铁（II）或钴（II）时，β-二羰基化合物与金属的摩尔比在2.1:1至10:1范围内，当金属为铝（III）、铁（III）或钴（III）时，β-二羰基化合物与金属的摩尔比在3.1:1至10:1范围内。还描述了含有有机金属化合物的聚异氰酸酯组合物以及绑定木质纤维素材料的工艺。
• Electroluminescent devices containing trans-1,2-bis(acenyl)ethylene compounds
  申请人：Gerlach P. Christopher

  公开号：US20060105199A1

  公开（公告）日：2006-05-18

  Organic electroluminescent devices and methods of making organic electroluminescent devices are described. The organic electroluminescent devices include an organic emissive element that is positioned between two electrodes. The organic emissive element contains a trans-1,2-bis(acenyl)ethylene compound where the acenyl group is selected from 2-naphthyl, 2-anthracenyl, or 2-tetracenyl.

  本文描述了有机电致发光器件及其制造方法。该有机电致发光器件包括一个有机发射元件，该元件位于两个电极之间。有机发射元件包含一种trans-1,2-双（芴基）乙烯化合物，其中芴基团从2-萘基、2-蒽基或2-四苯基中选择。
• Semiconductors containing trans-1,2-bis(acenyl)ethylene compoounds
  申请人：Gerlach P. Christopher

  公开号：US20060102893A1

  公开（公告）日：2006-05-18

  Semiconductor devices are described that include a semiconductor layer that contains a trans-1,2-bis(acenyl)ethylene compound. The acenyl group is selected from 2-naphtyl, 2-anthracenyl, or 2-tetracenyl. Additionally, methods of making semiconductor devices are described that include depositing a semiconductor layer that contains a trans-1,2-bis(acenyl)ethylene compound.

  本文描述了包含半导体层的半导体器件，其中包含一种含有trans-1,2-双(乙烯基)苯乙烯化合物的半导体层。乙烯基苯乙烯化合物的乙烯基苯基选择自2-萘基、2-蒽基或2-四蒸基。此外，还描述了制造半导体器件的方法，包括沉积含有trans-1,2-双(乙烯基)苯乙烯化合物的半导体层。
• Process for preparing pentacene derivatives
  申请人：Vogel E. Dennis

  公开号：US20050288522A1

  公开（公告）日：2005-12-29

  A process for preparing substituted pentacene compounds comprises the step of cyclizing substituted bis(benzyl)phthalic acids using an acid composition comprising trifluoromethanesulfonic acid, the substituted bis(benzyl)phthalic acids being represented by the following general formulas: wherein each R (that is, each of the groups R 1 through R 8 ) is independently an electron-donating group, a halogen atom, a hydrogen atom, or a combination thereof.

  一种制备取代五环芴化合物的过程，包括使用三氟甲磺酸组成的酸性组合物，通过环化取代双(苄基)邻苯二甲酸来实现。取代双(苄基)邻苯二甲酸由以下通式表示：其中每个R（即R1到R8的每个基团）独立地是电子给予基团、卤素原子、氢原子或其组合。
• 2-Pyridone derivatives as neutrophil elastase inhibitors and their use
  申请人：Hansen Peter

  公开号：US20070043036A1

  公开（公告）日：2007-02-22

  There are provided novel compounds of formula (I), wherein R 1 , R 2 , R 4 , R 5 , G 1 , G 2 , L, Y and n are as defined in the Specification and optical isomers, racemates and tautomers thereof, and pharmaceutically acceptable salts thereof; together with processes for their preparation, compositions containing them and their use in therapy. The compounds are inhibitors of neutrophil elastase.

  提供了式（I）的新化合物，其中R1，R2，R4，R5，G1，G2，L，Y和n如规范中所定义，并提供其光学异构体，外消旋体和互变异构体以及其药学上可接受的盐。还提供了制备它们的过程，包含它们的组合物以及它们在治疗中的用途。这些化合物是中性粒细胞弹性蛋白酶的抑制剂。

表征谱图