2-heptylcyclohexanone | 3313-59-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-heptylcyclohexanone
• 英文别名: 2-heptyl-cyclohexanone；2-Heptyl-cyclohexanon；2-heptylcyclohexan-1-one
• CAS: 3313-59-5
• 化学式: C₁₃H₂₄O
• 分子量: 196.333
• InChiKey: KJEHDGJTIPPRPR-UHFFFAOYSA-N

物化性质

• 沸点：
  152-154 °C(Press: 23 Torr)
• 密度：
  0.8894 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-heptylcyclohexanone 在 高氯酸 作用下， 以 四氯化碳 为溶剂， 反应 3.0h， 生成 (S)-2-Heptyl-cyclohexanone
  参考文献：
  名称：

  Matsumoto, Kazutsugu; Tsutsumi, Seiji; Ihori, Tamiko, Journal of the American Chemical Society, 1990, vol. 112, # 26, p. 9614 - 9619

  摘要：

  DOI：
• 作为产物：
  描述：

  螺[1,3,5,6,7,8-六氢喹唑啉-2,1'-环己烷]-4-酮 在 氢氧化钾 、 硫酸 、 sodium ethanolate 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 2-heptylcyclohexanone
  参考文献：
  名称：

  Bischoff,C.; Herma,H., Journal fur praktische Chemie (Leipzig 1954), 1976, vol. 318, p. 773 - 778

  摘要：

  DOI：

文献信息

• Topical mosquito repellents XIII: Cyclic analogs of lactic acid
  作者：W.A. Skinner、F. Fuhrmann、L.C. Rutledge、M.A. Moussa、C.E. Schreck

  DOI：10.1002/jps.2600690221

  日期：1980.2

  Numerous cyclic analogs of lactic acid were synthesized to ascertain whether they might act as agonists of antagonists of lactic acid, a known attractant for mosquitoes. These compounds were evaluated with an in vitro blood-feeding test system and an in vivo cloth test. Two of the compounds in the blood-feeding test system showed biphasic results, acting as attractants at low concentrations and as

  合成了乳酸的许多环状类似物，以确定它们是否可以充当乳酸拮抗剂（已知的蚊子引诱剂）的激动剂。这些化合物用体外血液测试系统和体内布料测试进行了评估。输血测试系统中的两种化合物显示出两相结果，在低浓度下可作为引诱剂，在高浓度下可作为驱避剂。几种化合物（III，V，VII和X）在血液测试系统中驱除了埃及伊蚊。但是，在体内布料测试系统中，只有III能够有效地驱除蚊子。
• Clean borrowing hydrogen methodology using hydrotalcite supported copper catalyst
  作者：Manish Dixit、Manish Mishra、Pradyuman A. Joshi、Dinesh O. Shah

  DOI：10.1016/j.catcom.2012.12.027

  日期：2013.3

  The catalytic activity of Mg–Al hydrotalcite supported copper catalyst was investigated for clean CC and CN bond forming reactions using alcohols as alkylating agent via borrowing hydrogen methodology. The catalyst showed excellent conversion of ketone and amine substrates (71–99%) to alkylated products with high selectivity in alkylation reactions.

  以醇为烷基化剂，通过借用氢法研究了镁铝水滑石负载的铜催化剂对清洁的C C和C N键形成反应的催化活性。该催化剂在烷基化反应中显示出优异的酮和胺底物（71-99％）至烷基化产物的高转化率。
• POLYMER MATERIAL AND POLYMER LIGHT-EMITTING DEVICE USING SAME
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1961782A1

  公开（公告）日：2008-08-27

  Disclosed is a polymer material containing a fluorescent or phosphorescent compound. When used in a light-emitting device, the polymer material enables to obtain a light-emitting device with excellent practicability which can be driven at low voltage and is excellent in luminous efficiency, color tones of emitted light and the like. Specifically disclosed is a polymer material characterized by containing a polymer (A) having a residue of a compound represented by the formula (1) below or the structure of (A), and a molecule (B) exhibiting fluorescence or phosphorescence in the visible region or the structure of (B). (In the formula, ring A, ring B and ring C independently represent an optionally substituted aromatic ring or non-aromatic ring; and Z1, Z2, Z3, Z4 and Z5 independently represent C-(Q)z or a nitrogen atom, wherein Q represents a substituent or a hydrogen atom and z represents 0 or 1. The ring A and ring B may have in common an atom other than Z5 in the rings, and one or two of the ring A, ring B and ring C are non-aromatic rings.)

  本发明公开了一种含有荧光或磷光化合物的聚合物材料。该聚合物材料用于发光器件时，可获得实用性极佳的发光器件，该器件可在低电压下驱动，并且在发光效率、发射光的色调等方面性能优异。具体地说，本发明公开了一种高分子材料，其特征在于，该材料包含具有下式（1）所代表化合物残留物或（A）结构的聚合物（A），以及在可见光区域显示荧光或磷光的分子（B）或（B）结构。 (式中，环 A、环 B 和环 C 独立地代表任选取代的芳香环或非芳香环；Z1、Z2、Z3、Z4 和 Z5 独立地代表 C-(Q)z 或氮原子，其中 Q 代表取代基或氢原子，z 代表 0 或 1。环 A 和环 B 中可以有一个除 Z5 以外的原子，并且环 A、环 B 和环 C 中的一个或两个是非芳香环。）
• PROCESS FOR PRODUCING 2-ALKYLCYCLOALKANONE
  申请人：Kao Corporation

  公开号：EP2487150A1

  公开（公告）日：2012-08-15

  The present invention relates to a process for producing 2-alkylcycloalkanones with a high yield and a high purity. In addition, the present invention also relates to a process for producing lactones as a useful perfume material for cosmetics, flavors, etc. More specifically, the present invention relates to a process for producing a 2-alkylcycloalkanone represented by the following general formula (2) which includes the step of subjecting a 2-(1-hydroxyalkyl)-cycloalkanone to dehydration and hydrogenation reaction in a flow of a hydrogen gas under a pressure of from 20 to 200 kPa (absolute pressure) in the presence of an acid and a platinum group metal catalyst; and a process for producing a lactone which includes the step of subjecting the 2-alkylcycloalkanone to oxidation reaction using a percarboxylic acid: wherein n is an integer of 1 or 2; and R1 and R2 are each independently a hydrogen atom or an alkyl group having 1 to 8 carbon atoms with the proviso that R1 and R2 may form a ring through a carbon atom adjacent thereto.

  本发明涉及一种以高产率和高纯度生产 2-烷基环烷酮的工艺。此外，本发明还涉及一种生产内酯的工艺，这种内酯是一种有用的香水材料，可用于化妆品、香精等。更具体地说，本发明涉及一种生产由以下通式（2）代表的 2-烷基环烷酮的工艺，该工艺包括以下步骤：在一种酸和一种铂族金属催化剂存在下，使 2-（1-羟基烷基）-环烷酮在压力为 20 至 200 kPa（绝对压力）的氢气流中进行脱水和氢化反应；以及一种生产内酯的工艺，其中包括使用过羧酸使 2-烷基环烷酮进行氧化反应的步骤： 其中n为1或2的整数；R1和R2各自独立地为氢原子或具有1至8个碳原子的烷基，但R1和R2可通过相邻的碳原子形成环。
• Pharmaceutical composition comprising a crystal form of (S)-4-(8-amino-3-(1-(but-2-ynoyl)pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide for treating diffuse large B-cell lymphoma
  申请人：Acerta Pharma B.V.

  公开号：US10640509B2

  公开（公告）日：2020-05-05

  In some embodiments, the invention relates to crystalline solid forms, including hydrates, polymorphs, and salt forms, of (S)-4-(8-amino-3-(1-(but-2-ynoyl)pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide. In some embodiments, the invention relates to amorphous solid forms of (S)-4-(8-amino-3-(1-(but-2-ynoyl)pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide. In some embodiments, the invention also relates to pharmaceutical compositions containing the solid forms, and methods for treating conditions or disorders by administering to a subject a pharmaceutical composition that includes the forms, including pharmaceutical compositions and methods for overcoming the effects of acid reducing agents.

  在一些实施方案中，本发明涉及(S)-4-(8-氨基-3-(1-(丁-2-炔酰基)吡咯烷-2-基)咪唑并[1,5-a]吡嗪-1-基)-N-(吡啶-2-基)苯甲酰胺的结晶固体形式，包括水合物、多晶体和盐形式。在一些实施方案中，本发明涉及(S)-4-(8-氨基-3-(1-(丁-2-炔酰基)吡咯烷-2-基)咪唑并[1,5-a]吡嗪-1-基)-N-(吡啶-2-基)苯甲酰胺的无定形固体形式。在一些实施方案中，本发明还涉及含有这些固体形式的药物组合物，以及通过向受试者施用包含这些形式的药物组合物来治疗病症或紊乱的方法，包括克服酸还原剂作用的药物组合物和方法。