1-(羟甲基)双环(2.2.1)庚烷 | 2064-02-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 1-(羟甲基)双环(2.2.1)庚烷
• 英文名称: 1-norbornylmethanol
• 英文别名: bicyclo<2.2.1>hept-1-yl methanol；bicyclo<2.2.1>heptyl-1-carbinol；1-(Hydroxymethyl)bicyclo<2.2.1>heptane；bicyclo[2.2.1]heptan-1-ylmethanol；1-Hydroxymethyl-bicyclo<2.2.1>heptan；Bicyclo[2.2.1]heptanemethanol；1-bicyclo[2.2.1]heptanylmethanol
• CAS: 2064-02-0
• 化学式: C₈H₁₄O
• mdl: MFCD00831863
• 分子量: 126.199
• InChiKey: HLJSJYHFIJLTAX-UHFFFAOYSA-N

物化性质

• 熔点：
  59-60.2 °C
• 沸点：
  199.1±8.0 °C(Predicted)
• 密度：
  1.064±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-(羟甲基)双环(2.2.1)庚烷 在 盐酸 、 zinc(II) chloride 作用下， 反应 4.5h， 以90%的产率得到1-氯双环[2.2.2]辛烷
  参考文献：
  名称：

  1-降冰片基锂作为前驱体用于合成新型有机 1-双环 [2.2.1] 庚烷衍生物和改进 1-氯-双环 [2.2.2] 辛烷的制备

  摘要：

  摘要 描述了一种合成 1-氯-双环 [2.2.2] 辛烷的改进策略，其中关键化合物 1-降冰片基取代甲酸乙酯 (3) 或 1-降冰片基甲醛 (7) 由 1-降冰片基锂 (1) 制备。 . 后者似乎是合成各种有机桥头取代衍生物的有用前体。

  DOI：

  10.1080/00397919508011771
• 作为产物：
  描述：

  exo-2-bromobicyclo(2.2.1)heptane-1-carboxylic acid chloride 在 sodium hydroxide 、 sodium tetrahydroborate 、 lithium aluminium tetrahydride 、 三甲基氯化锡 作用下， 以 乙醚 为溶剂， 反应 6.75h， 生成 1-(羟甲基)双环(2.2.1)庚烷
  参考文献：
  名称：

  Bicyclo[3.2.2]non-1-ene: matrix isolation and spectroscopic characterization of a moderately strained bridgehead olefin

  摘要：

  Bicyclo[3.2.2]non-1-ene was generated in low-temperature matrices and in fluid solutions by photodecomposition of bicyclo[2.2.2]oct-1-yldiazomethane and its photorearrangement product, 3-(bicyclo[2.2.2]oct-1-yl)diazirine. It was characterized by IR and UV absorption and by H-1 and C-13 NMR spectroscopy. Further evidence for the proposed structure was provided by self-trapping and by the spectral effects of deuteration on the olefinic carbon. Observed IR spectra and isotopic shifts agree well with the results of semiempirical (MNDO) and ab initio (SCF/6-31G*) calculations.

  DOI：

  10.1021/jo00066a018

文献信息

• Pattern forming method, actinic ray-sensitive or radiation-sensitive resin composition and resist film
  申请人：FUJIFILM CORPORATION

  公开号：US10248019B2

  公开（公告）日：2019-04-02

  A pattern forming, method, includes: (i) forming a film from an actinic ray-sensitive or radiation-sensitive resin composition that contains (A) a compound capable of generating an acid upon irradiation with an actinic ray or radiation and decomposing by an action of an acid to decrease a solubility of the compound (A) for an organic solvent; (ii) exposing the film; and (iii) performing development by using a developer containing an organic solvent.

  一种形成图案的方法包括：(i) 使用一种含有（A）一种能够在受到光或辐射照射时生成酸并通过酸的作用分解以降低该化合物（A）对有机溶剂的溶解度的光敏或辐射敏感树脂组合物形成薄膜；(ii) 曝光薄膜；和(iii) 使用含有有机溶剂的显影剂进行显影。
• NOVEL AROMATIC COMPOUND AND POLYARYLENE COPOLYMER HAVING NITROGEN-CONTAINING HETEROCYCLE INCLUDING SULFONIC ACID GROUP IN SIDE CHAIN
  申请人：Kadota Toshiaki

  公开号：US20100152308A1

  公开（公告）日：2010-06-17

  Provided is a solid polymer electrolyte having increased heat resistance and high proton conductivity and a proton conductive membrane composed of the electrolyte. Also provided is a copolymer having a sulfonic acid group. The copolymer includes a repeating unit represented by Formula (1): (in the formula, Y denotes at least one kind of structure selected from the group consisting of —CO—, —SO 2 —, —SO—, —CONH—, —COO—, —(CF 2 ) l — (l is an integer of 1 to 10), and —C(CF 3 ) 2 —; W denotes at least one kind of structure selected from the group consisting of a direct bond, —CO—, —SO 2 —, —SO—, —CONH—, —COO—, —(CF 2 ) l — (l is an integer of 1 to 10), —C(CF 3 ) 2 —, —O—, and —S—; Z denotes a direct bond or at least one kind of structure selected from the group consisting of —(CH 2 ) l —(l is an integer of 1 to 10), —C(CH 3 ) 2 —, —O—, —S—, —CO—, and —SO 2 —; R 30 denotes a nitrogen-containing aromatic ring having a substituent represented by —SO 3 H, —O(CH 2 ) h SO 3 H, or —O(CF 2 ) h SO 3 H (h is an integer of 1 to 12); p is an integer of 0 to 10; q is an integer of 0 to 10; r is an integer of 1 to 5; and k is an integer of 0 to 4).

  提供了一种具有增强耐热性和高质子导电性的固体聚合物电解质，以及由该电解质组成的质子导电膜。还提供了一种具有磺酸基团的共聚物。该共聚物包括由式（1）表示的重复单元：（在公式中，Y表示来自由- CO-、- SO2-、- SO-、- CONH-、- COO-、-（CF2）l-（l为1至10的整数）、和- C（CF3）2-等结构中至少一种的结构；W表示来自由直接键、- CO-、- SO2-、- SO-、- CONH-、- COO-、-（CF2）l-（l为1至10的整数）、- C（CF3）2-、- O-、和- S-等结构中至少一种的结构；Z表示直接键或来自由-（CH2）l-（l为1至10的整数）、- C（CH3）2-、- O-、- S-、- CO-、和- SO2-等结构中至少一种的结构；R30表示含有一个取代基为- SO3H、- O（CH2）hSO3H、或- O（CF2）hSO3H（h为1至12的整数）的氮含有芳香环；p为0至10的整数；q为0至10的整数；r为1至5的整数；k为0至4的整数）。
• Synthesis of Novel Purine-Based Coxsackievirus Inhibitors Bearing Polycylic Substituents at the N-9 Position
  作者：Milan Dejmek、Michal Šála、Pavla Plačková、Hubert Hřebabecký、Laura Mascarell Borredà、Johan Neyts、Martin Dračínský、Eliška Procházková、Petr Jansa、Pieter Leyssen、Helena Mertlíková-Kaiserová、Radim Nencka

  DOI：10.1002/ardp.201300431

  日期：2014.7

  The synthesis of a novel library of purine derivatives bearing various bicyclic and polycylic substituents at the N‐9 position is described. The series includes norbornanes, bicyclo[2.2.2]octanes, and bicyclo[3.2.1]octanes attached at the bridgehead position as well as bicyclo[3.1.1]heptanes, tetrahydro‐1‐naphthalenes, and adamantanes bonded either directly or via a linear chain to the 6‐chloropurine

  描述了在 N-9 位置带有各种双环和多环取代基的新型嘌呤衍生物库的合成。该系列包括在桥头位置连接的降冰片烷、双环[2.2.2]辛烷和双环[3.2.1]辛烷以及直接或通过连接的双环[3.1.1]庚烷、四氢-1-萘和金刚烷6-氯嘌呤核碱基的线性链。许多制备的衍生物对肠道病毒具有显着的活性。尽管试图将针对小核糖核酸病毒的活性与其磷脂酰肌醇 4-激酶 KIIIβ 抑制活性相关联，但很明显，这种宿主因子的抑制不能解释观察到的抗病毒效力。
• Solvent-Equilibrated Ion Pairs from Carbene Fragmentation Reactions
  作者：Robert A. Moss、Fengmei Zheng、Jean-Marie Fedé,、Lauren A. Johnson、Ronald R. Sauers

  DOI：10.1021/ja040146o

  日期：2004.10.1

  [R(+) OC Cl(-)] ion pairs were generated in methanol/dichloroethane solutions, with R(+) as the 1-bicyclo[2.2.2]octyl, 1-adamantyl, or 3-homoadamantyl cation. Ion pairs were produced either by the direct fragmentation of alkoxychlorocarbenes (ROCCl), with R = 1-bicyclo[2.2.2]octyl, 1-adamantyl, or 3-homoadamantyl, or by the ring expansion-fragmentation of R'CH(2)OCCl, with R' = 1-norbornyl, 3-noradamantyl

  [R(+) OC Cl(-)] 离子对在甲醇/二氯乙烷溶液中生成，其中 R(+) 作为 1-双环 [2.2.2] 辛基、1-金刚烷基或 3-高金刚烷基阳离子。离子对是通过烷氧基氯卡宾 (ROCCl) 的直接碎裂产生的，其中 R = 1-双环 [2.2.2] 辛基、1-金刚烷基或 3-高金刚烷基，或者通过 R'CH(2 )OCCl，其中 R' = 1-降冰片基、3-去甲金刚烷基或 1-金刚烷基。[ROMe]/[RCl] 产物比率作为二氯乙烷中 MeOH 摩尔分数的函数的相关性表明，由直接或扩环断裂产生的高金刚烷基氯离子对是相同的，溶剂和阴离子平衡，和前体独立。激光闪光光解实验给出了 20-30 ps 作为溶剂平衡和前体独立所需的时间。（不太稳定） 1-金刚烷基氯和 1-双环 [2.2.2] 辛基氯离子对的甲醇/氯化物选择性与其 ROCCl 或 R'CH(2)OCCl 前体无关。计算研究提供了碎片和离子对结构的过渡态。
• [EN] PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE<br/>[FR] PROMÉDICAMENTS D'ANALOGUES NUCLÉOTIDIQUES DE PHOSPHONAMIDE ET LEUR UTILISATION PHARMACEUTIQUE
  申请人：GILEAD SCIENCES INC

  公开号：WO2022031894A1

  公开（公告）日：2022-02-10

  Compounds, compositions, and method useful for treating a viral infection, such as human immunodeficiency virus (HIV) and/or hepatitis B virus (HBV) infection, are disclosed. In particular, prodrugs of phosphonamide nucleotide analogues and methods for their preparation and use as therapeutic or prophylactic agents are disclosed.

  揭示了用于治疗病毒感染的化合物、组合物和方法，例如人类免疫缺陷病毒（HIV）和/或乙型肝炎病毒（HBV）感染。具体来说，揭示了磷酰胺核苷类似物的前药和其制备和用作治疗或预防剂的方法。

表征谱图