1-adamantyl methyl carbonate | 37994-86-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 1-adamantyl methyl carbonate
• 英文别名: Adamantan-1-yl methyl carbonate
• CAS: 37994-86-8
• 化学式: C₁₂H₁₈O₃
• 分子量: 210.273
• InChiKey: LPZZDSAHMAEUDA-UHFFFAOYSA-N

物化性质

• 沸点：
  309.3±9.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-金刚烷醇 、 碳酸二甲酯 在 lanthanum(III) nitrate hexahydrate 、 三辛基膦 作用下， 反应 7.0h， 以98%的产率得到1-adamantyl methyl carbonate
  参考文献：
  名称：

  In situ generated “lanthanum(iii) nitrate alkoxide” as a highly active and nearly neutral transesterification catalyst

  摘要：

  原位生成的氮酸铈(III)醇酸盐是一种活性高且几乎中性的转酯化催化剂，能够在回流条件下促进α-取代手性羧酸酯的非表异构转酯化反应。

  DOI：

  10.1039/c2cc34987f

文献信息

• Lanthanum(III) Isopropoxide Catalyzed Chemoselective Transesterification of Dimethyl Carbonate and Methyl Carbamates
  作者：Manabu Hatano、Sho Kamiya、Katsuhiko Moriyama、Kazuaki Ishihara

  DOI：10.1021/ol102754y

  日期：2011.2.4

  carbonate and much less reactive methyl carbamates with primary (1°), secondary (2°), and tertiary (3°) alcohols was established with the use of a lanthanum(III) complex, which was prepared in situ from lanthanum(III) isopropoxide (3 mol %) and 2-(2-methoxyethoxy)ethanol (6 mol %). In particular, corresponding carbonates and carbamates obtained were of synthetic utility from the viewpoint of the selective protection

  使用镧（III）配合物，建立了反应性较低的碳酸二甲酯和反应性较低的氨基甲酸甲酯与伯（1°），仲（2°）和叔（3°）醇的实际酯交换反应原位由异丙醇镧（III）（3摩尔％）和2-（2-甲氧基乙氧基）乙醇（6摩尔％）原位制备。特别地，从对1°-，2°-和3°-醇的选择性保护和/或脱保护的观点来看，获得的相应的碳酸盐和氨基甲酸酯具有合成用途。
• Interleukin-4 gene expression inhibitors
  申请人：——

  公开号：US20040006123A1

  公开（公告）日：2004-01-08

  This invention discloses and claims a class of indole and benzo(b)thiophene derivatives for use in treating allergy, asthma, rhinitis, dermatitis, B-cell lymphomas, tumors and diseases associated with bacterial, rhinovirus or respiratory syncytial virus (RSV) infections. The compounds of this invention are defined by the Formula (I): 1 wherein X, Y, Z, R 1 , R 2 and R 3 are as defined in the specification; or a pharmaceutically acceptable salt thereof. In preferred embodiments of this invention it is also disclosed and claimed that the compounds of this invention are capable of modulating T helper (Th) cells, Th1/Th2, and thereby capable of inhibiting the transcription of interleukin-4 (IL-4) message, IL-4 release or IL-4 production.

  这项发明揭示并声明了一类吲哚和苯并(b)噻吩衍生物，用于治疗过敏、哮喘、鼻炎、皮炎、B细胞淋巴瘤、肿瘤以及与细菌、鼻病毒或呼吸道合胞病毒(RSV)感染相关的疾病。本发明的化合物由下式(I)定义： 1 其中X、Y、Z、R 1 、R 2 和R 3 如规范中所定义；或其药学上可接受的盐。在本发明的优选实施例中，还揭示并声明了本发明的化合物能够调节T辅助(Th)细胞、Th1/Th2，从而能够抑制白细胞介素-4(IL-4)信息的转录、IL-4的释放或IL-4的产生。
• Synthesis of alkyl methyl ethers and alkyl methyl carbonates by reaction of alcohols with dimethyl carbonate in the presence of tungsten and cobalt complexes
  作者：R. I. Khusnutdinov、N. A. Shchadneva、Yu. Yu. Mayakova

  DOI：10.1134/s1070428014060050

  日期：2014.6

  Alkyl methyl ethers and alkyl methyl carbonates were synthesized by reaction of alcohols with dimethyl carbonate in the presence of tungsten and cobalt carbonyls. Optimal reactant and catalyst ratios, as well as reaction conditions, were found for selective formation of alkyl methyl ethers or alkyl methyl carbonates.

  在醇和羰基钴存在下，通过醇与碳酸二甲酯的反应合成烷基甲基醚和碳酸烷基甲基酯。发现了用于选择性形成烷基甲基醚或碳酸烷基甲基酯的最佳反应物和催化剂比例以及反应条件。
• Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use
  申请人：Sankyo Company Limited

  公开号：EP0536936A1

  公开（公告）日：1993-04-14

  Compounds of formula (I): [in which: R¹, R² and R³ are the same or different and each represents a hydrogen atom, an optionally substituted alkanoyl group or an alkenylcarbonyl group, provided that at least one of R¹, R² and R³ represents an unsubstituted alkanoyl group having from 5 to 24 carbon atoms, said substituted alkanoyl group or said alkenylcarbonyl group; and one of R⁴ and R⁵ represents a hydrogen atom and the other represents a cyano group]; have valuable anti-tumour activity.

  式子（I）的化合物：[其中：R¹、R²和R³相同或不同，每个代表氢原子、可选取代的脂肪酰基团或烯基羰基团，前提是至少有一个R¹、R²和R³代表有5到24个碳原子的未取代脂肪酰基团，或者是所述取代的脂肪酰基团或所述烯基羰基团；R⁴和R⁵中的一个代表氢原子，另一个代表氰基]，具有有价值的抗肿瘤活性。
• Carbapenem derivatives having antibiotic activity, their preparation and their use
  申请人：Sankyo Company Limited

  公开号：EP0443883A1

  公开（公告）日：1991-08-28

  Carbapenem compounds of formula (I) : [in which : A is a fully saturated heterocyclic group, of which at least one ring atom is nitrogen ; R1 is hydrogen or methyl ; R2 is hydrogen or alkyl ; R3 is hydrogen or a negative ion; Q is: (i) -B-N+R8R9R10, where R8, R9 and R10 are alkenyl, alkynyl or optionally substituted alkyl, and B is alkylene or alkylidene ; (ii) a heterocyclic group of which one ring atom is a >N+R11R12, where R11 and R12 are alkenyl, alkynyl or optionally substituted alkyl ; (iii) alkyl substituted by a heterocyclic group as defined in (ii) above ; or (iv) alkyl substituted by an aromatic heterocyclic group, of which one ring atom is or R2 and Q, and the nitrogen to which they are attached, form a group of formula (II) : where m and n are 1, 2 or 3 ; R6 is optionally substituted alkyl ; and R7 is alkenyl, alkynyl or optionally substituted alkyl] and pharmaceutically acceptable salts and esters thereof have valuable antibacterial activity with enhanced resistance to dehydropeptidase I and β-lactamase. Methods of preparing and using the compounds are also provided.

  式(I)的碳青霉烯化合物：[其中：A是完全饱和的杂环基团，其中至少一个环原子是氮；R1是氢或甲基；R2是氢或烷基；R3是氢或负离子；Q是：(i)-B-N+R8R9R10，其中R8、R9和R10是烯基、炔基或可选取代的烷基，B是烷基或烷基亚甲基；(ii)杂环基团，其中一个环原子是>N+R11R12，其中R11和R12是烯基、炔基或可选取代的烷基；(iii)由(ii)中定义的杂环基团取代的烷基；或(iv)由一个芳香杂环基团取代的烷基，其中一个环原子是R2或Q，它们附着的氮形成式(II)的基团：其中m和n为1、2或3；R6是可选取代的烷基；R7是烯基、炔基或可选取代的烷基。其药学上可接受的盐和酯具有有价值的抗菌活性，并具有对脱氢肽酶I和β-内酰胺酶的增强抗性。还提供了制备和使用这些化合物的方法。