邻麝香草酸的环三内酯 | 4399-52-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 邻麝香草酸的环三内酯
• 英文名称: tri-O-thymotide
• 英文别名: Tri-ortho-thymotide；tris(o-thymotide)；7,15,23-triisopropyl-4,12,20-trimethyl-1,9,17-trioxa-[2.2.2]orthocyclophane-2,10,18-trione；7,15,23-Triisopropyl-4,12,20-trimethyl-1,9,17-trioxa-[2.2.2]orthocyclophan-2,10,18-trion；Tri-O-Ahymotide；5,13,21-trimethyl-8,16,24-tri(propan-2-yl)-2,10,18-trioxatetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene-3,11,19-trione
• CAS: 4399-52-4；20432-15-9；73711-96-3
• 化学式: C₃₃H₃₆O₆
• 分子量: 528.645
• InChiKey: ZIKHLMVJGCYVAC-UHFFFAOYSA-N

物化性质

• 熔点：
  219-221 °C(lit.)
• 沸点：
  658.9±55.0 °C(Predicted)
• 密度：
  1.139±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  39
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  邻麝香草酸的环三内酯 、 溴甲烷 在 异辛烷 作用下， 以 异辛烷 为溶剂， 25.0~110.0 ℃ 、2666.44 MPa 条件下， 反应 122.0h， 生成 Tri-o-thymotide methyl bromide
  参考文献：
  名称：

  Preparation comprising cavitate- or clathrate-forming host/guest

  摘要：

  提供了一种使用形成气泡或笼合物的宿主/客体复合物制备超声检查对比剂的方法。宿主/客体复合物具有一个可溶于液体载体的宿主，释放出客体（惰性气体）。使用这种对比剂，可以诊断心脏、其他器官（如心肌、肝脏、脾脏和肾脏）中的血液及其流动情况。还可以成像其他内部系统，如泌尿管道、胃肠道、关节和眼睛。

  公开号：

  US05730954A1
• 作为产物：
  描述：

  2-羟基-3-异丙基-6-甲基苯甲酸 在 三氯氧磷 作用下， 反应 48.0h， 以89%的产率得到邻麝香草酸的环三内酯
  参考文献：
  名称：

  Improved preparation of the clathrate host compound tri-o-thymotide and related trisalicylide derivatives

  摘要：

  In order to improve the relatively low yield (ca. 35%) previously observed in the synthesis of tri-o-thymotide (TOT, 1) from o-thymotic acid (2), the cyclodehydration was studied using a variety of conditions. The low yield is due to the formation of di-o-thymotide (DOT, 3), previously reported, and at least three other products (4-6), which apparently result from the acid-catalyzed decarboxylation of 2 and subsequent condensation with thymol (7). Using pyridine as a solvent, side-product formation is inhibited. Under appropriate conditions, namely, neat POCl3 at 50-degrees-C, the yield of 1 is 93%. Other salicylic acid derivatives also give high yields of the corresponding ''trimers'' under these conditions, thus providing a general, improved preparation of a family of potential clathrate host substances.

  DOI：

  10.1021/jo00014a037
• 作为试剂：
  描述：

  2,3-cis-epoxybutane 在 氢溴酸 、 邻麝香草酸的环三内酯 作用下， 以 solid 为溶剂， 生成 3-丁烯-2-醇
  参考文献：
  名称：

  通过固态NMR技术探测手性三邻胸苷化物笼形腔内的分子运动和化学反应

  摘要：

  固态NMR技术在跟踪手性包合物中的对映异构体过量和反应之后，提供了一种湿化学方法的无损替代方法，并显示出两个光学上不同的族群（其一个不能通过X射线衍射来定义）可以通过它们的特征来表征独特的动态行为。

  DOI：

  10.1039/c39900001585

文献信息

• METHOD FOR PRODUCING MOLECULAR COMPOUND
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1342706A1

  公开（公告）日：2003-09-10

  A method for producing a molecular compound which comprises mixing and kneading a solid host compound and a solid or liquid guest compound by using a kneader and optionally followed by extruding and granulating, wherein the method further comprises one or more of the steps of holding the product at a temperature which is 50 ° C or higher and not higher than the emission temperature for the guest compound, washing the formed molecular compound with a solvent capable of dissolving the guest compound, pulverizing in advance the solid host compound, and adding a poor solvent such as water prior to mixing and kneading. The method allows the production of a molecular compound having improved stability.

  一种生产分子化合物的方法，包括使用捏合机将固体主化合物和固体或液体客体化合物混合并捏合，可选择随后进行挤压和造粒，其中该方法进一步包括以下一个或多个步骤：将产品保持在 50 ° C 或更高的温度下，且不高于客体化合物的发射温度；用能够溶解客体化合物的溶剂清洗已形成的分子化合物；提前粉碎固体主化合物；以及在混合和捏合之前加入贫溶剂，如水。这种方法可以生产出稳定性更好的分子化合物。
• Optical switch and safety apparatus using the same
  申请人：Fuji Photo Film Co., Ltd.

  公开号：EP1445600A1

  公开（公告）日：2004-08-11

  Provided are optical switches applicable to various safety apparatuses which can control an operation of a circuit by detecting a switching signal such as pathogens and toxic substances, and safety apparatuses using the optical switches. The optical switch comprises an optical irradiation unit to irradiate light; an optical interference unit which can interact with a switching signal, interferes with light irradiated from the optical irradiation unit and radiates it as interference light, and can vary the wavelength of the interference light after interaction with the switching signal; and a switching unit which is provided in the path of the interference light, detects a wavelength change of the interference light, and conducts One of activating and deactivating a circuit. The safety appatatus comprises the optical switch and a hazard evasive apparatus activating unit which activates a hazard evasive apparatus using the optical switch.

  本发明提供了适用于各种安全装置的光开关，它可以通过检测病原体和有毒物质等开关信号来控制电路的运行，还提供了使用光开关的安全装置。光学开关包括：用于照射光的光学照射单元；可与开关信号相互作用的光学干涉单元，干涉从光学照射单元照射的光并将其作为干涉光辐射出去，并且在与开关信号相互作用后可改变干涉光的波长；以及设置在干涉光路径上的开关单元，检测干涉光的波长变化，并执行激活和停用电路的操作。安全装置包括光学开关和危险规避装置激活单元，该单元利用光学开关激活危险规避装置。
• Agent for health inspection and health inspection apparatus using the same
  申请人：FUJI PHOTO FILM CO., LTD.

  公开号：US20020168291A1

  公开（公告）日：2002-11-14

  The agent for health inspection of the present invention is used as additive to a specimen solution and comprises a rod-shaped body and a capturing structured element bonded to the rod-shaped body which specifically captures a disease marker in the specimen solution.

  本发明的健康检测剂可作为标本溶液的添加剂使用，它包括一个棒状体和一个与棒状体粘合的捕捉结构件，该捕捉结构件专门捕捉标本溶液中的疾病标记物。
• Waste water inspecting agent and waste water inspecting apparatus using the same
  申请人：FUJI PHOTO FILM CO., LTD.

  公开号：US20030003476A1

  公开（公告）日：2003-01-02

  A waste water inspecting agent is used as an additive to a specimen solution and comprises a rod-shaped body and a capturing structured element bonded to the rod-shaped body which specifically captures an object to be captured in the specimen solution.

  一种废水检查剂用作试样溶液的添加剂，包括一个棒状体和一个粘接在棒状体上的捕捉结构件，该捕捉结构件专门捕捉试样溶液中的待捕捉物体。
• Particle size variable reactor
  申请人：FUJI PHOTO FILM CO., LTD.

  公开号：US20020168756A1

  公开（公告）日：2002-11-14

  A particle size (or particle diameter) variable reactor comprises a granular substrate and a capturing unit fixed onto the surface of the granular substrate. The capturing unit comprises a rod-shaped body having a length of 810 nm or less, a configuration variable element which may be structurally transformed when stimulation is applied, and a capturing structured body which specifically captures an object to be captured. The particle size variable reactor is highly biodegradable and environmentally friendly, and can specifically act on and thus selectively capture its target alone. The reactor may preferably be used in various fields including medical and industrial fields.

  粒度（或颗粒直径）可变反应器包括一个颗粒基质和一个固定在颗粒基质表面的捕捉单元。捕捉单元包括一个长度不超过 810 纳米的杆状体、一个在受到刺激时可发生结构变化的配置可变元件和一个专门捕捉待捕捉物体的捕捉结构体。粒度可变反应器具有高度的生物降解性和环境友好性，可专门作用于目标物，从而有选择地单独捕获目标物。该反应器可优先用于各种领域，包括医疗和工业领域。