1-(3-Bromopropyl)azepane | 113385-31-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: 1-(3-Bromopropyl)azepane
• CAS: 113385-31-2
• 化学式: C₉H₁₈BrN
• 分子量: 220.153
• InChiKey: OSLJGKDFUBBLSJ-UHFFFAOYSA-N

物化性质

• 沸点：
  253.4±23.0 °C(Predicted)
• 密度：
  1.206±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-氨基吲唑 、 1-(3-Bromopropyl)azepane 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以55%的产率得到N-(3-(Hexahydro-1H-azepin-1-yl)propyl)-1H-indazol-3-amine
  参考文献：
  名称：

  Studies on 3-aminoindazoles. I. Synthesis of 1- or 3-(substituted 3-amino)indazoles.

  摘要：

  通过以下三种方法合成了各种具有消炎作用的 1-或 3-（取代的 3-氨基）吲唑。1) 3-氨基吲唑（1）与丙烯酰胺（2a 和 2b）反应，得到酰胺衍生物（3a 和 3b），3a 和 3b 的 3 位上有氨基甲酰乙氨基。酰胺衍生物（3a 和 3b）经 P2S5 处理后转化为硫代酰胺衍生物（4a 和 4b）。电极还原 4a 和 4b，得到 3-（取代的 3-氨基）吲唑（5a 和 5b）。2) 1 与氨基烷基卤化物（6c-r）反应，得到 3-（取代的 3-氨基）吲唑（5c-r）和 1-（取代的 3-氨基）吲唑（7c-r），比例为 3 : 1。化合物 9 与氨基烷基卤化物 (6o-r) 反应，得到 9 的 1-取代衍生物 (10s-z)，10a-z 与水合肼反应，得到 1-（取代的 3-氨基）吲唑衍生物 (5s-z)。

  DOI：

  10.1248/cpb.35.2292

文献信息

• Method for Producing Modified Conjugated Diene-Based Polymer, Modified Conjugated Diene-Based Polymer, Modified Conjugated Diene-Based Polymer Composition, Rubber Composition and Tire
  申请人：Yamada Chigusa

  公开号：US20140213721A1

  公开（公告）日：2014-07-31

  A method for producing a modified conjugated diene-based polymer including a polymerization step of obtaining a conjugated diene-based polymer having an active end by use of a polymerization initiator containing a compound having at least one nitrogen atom in a molecule and an organic lithium compound; and a modification step of reacting a modifier represented by the following chemical formula (6) with the active end of the conjugated diene-based polymer: wherein R 4 to R 7 each independently represent an alkyl group having 1 to 20 carbon atoms or an aryl group having 6 to 20 carbon atoms; R 8 represents an alkylene group having 3 to 10 carbon atoms; R 9 represents an alkylene group having 1 to 20 carbon atoms; m is an integer of 1 or 2; and n is an integer of 2 or 3.

  一种生产改性共轭二烯基聚合物的方法，包括以下步骤： 1. 通过使用含有至少一个氮原子的化合物和有机锂化合物的聚合引发剂，进行聚合反应步骤，以获得具有活性端的共轭二烯基聚合物。 2. 使用以下化学式（6）表示的改性剂与共轭二烯基聚合物的活性端反应，进行改性步骤： 其中，R4至R7各自独立地表示具有1至20个碳原子的烷基或具有6至20个碳原子的芳基；R8表示具有3至10个碳原子的烷基；R9表示具有1至20个碳原子的烷基；m为1或2的整数；n为2或3的整数。
• 3-Aminoindazole derivatives and process for preparation thereof
  申请人：Asahi Kasei Kogyo Kabushiki Kaisha

  公开号：EP0049779A1

  公开（公告）日：1982-04-21

  A compound of the formula (I): wherein W, is a hydrogen atom or a group wherein Y is a C1-6 alkylene group or a C1-6 alkylene group having a C1-6 alkyl group substituent; and R, and R2 each independently is a hydrogen atom or a C1-6 alkyl group and R,, R2 and the adjacent nitrogen atom may form a C4-6 heterocyclic ring or a C4-6 heterocyclic ring containing an additional nitrogen atom and the C4-6 heterocyclic rings may have at least one C1-6 alkyl group, hydroxyl group or halogen atom; W2 is a hydrogen atom or a group wherein Z is a C1-6 alkylene group or a C1-6 alkylene group having a C1-6 alkyl group substituent; and R3 and R4 each independently is a hydrogen atom or a C1-6 alkyl group and R3, R4 and the adjacent nitrogen atom may form a C4-6 hetercyclic ring or a C4-6 heterocyclic ring containing an additional nitrogen atom and the C4-6 heterocyclic rings may have at least one C1-6 alkyl group, hydroxyl group or halogen atom; when W, is a hydrogen atom, W2 is the group; and when W2 is a hydrogen atom, W, is the group; and the pharmaceutically acceptable acid addition salt thereof.

  式 (I) 的化合物： 其中 W，是氢原子或 其中 Y 是 C1-6 亚烷基或具有 C1-6 烷基取代基的 C1-6 亚烷基；R 和 R2 各自独立地是氢原子或 C1-6 烷基，且 R、R2 和相邻的氮原子可形成 C4-6 杂环或含有额外氮原子的 C4-6 杂环，且 C4-6 杂环可具有至少一个 C1-6 烷基、羟基或卤素原子； W2 是氢原子或 其中 Z 为 C1-6 亚烷基或具有 C1-6 烷基取代基的 C1-6 亚烷基；以及 R3 和 R4 各自独立地为氢原子或 C1-6 烷基，且 R3、R4 和相邻氮原子可形成 C4-6 杂环或含有额外氮原子的 C4-6 杂环，且 C4-6 杂环可具有至少一个 C1-6 烷基、羟基或卤素原子； 当 W 是氢原子时，W2 是 基团；以及 当 W2 是氢原子时，W, 是基团；及 基团；及其药学上可接受的酸加成盐。
• Indazole derivatives
  申请人：Asahi Kasei Kogyo Kabushiki Kaisha

  公开号：EP0090972A2

  公开（公告）日：1983-10-12

  A compound of the formula (I): wherein W, and W2 each independently is a hydrogen atom or a group wherein Y is a n-C1-6 alkvlene group or a n-C1-6 alkylene group having a C1-6 alkyl group substituent; and R, and R2 each independently is a hydrogen atom or a C1-5 alkyl group, and group in group may form a saturated heterocyclic ring selected from the group consisting of morphohno. pyrrolidino, piperidino, homopiperidino and piperazino groups. and the saturated heterocyclic ring except the morpholino group may have at least one C1-4 alkyl group, hydroxyl group or halogen atom as a substituent; Z, is a hydrogen atom, a chlorine atom, a bromine atom, an iodine atom, a hydroxyl group, an amino group, a C1-3 alkyl group or a methoxy group; Z2 is a hydrogen atom or an amino group; when W, and W2 are both hydrogen atoms, Z, is a hydroxyl group or an iodine atom and Z2 is hydrogen atom, or Z, and 22 are both amino groups; When Z, and 22 are both hydrogen atoms, the group in either W, or W2 is a morpholino group; when Z, is a chlorine atom, a hydroxyl group, an iodine atom, a methyl group or a methoxy group, Z2 is a hydrogen atom; when Z, is an amino group, Z2 is a hydrogen atom or an amino group; when Z, is a methyl group, a methoxy group or an amino group, Z, is in the 5-position; when Z, is an iodine atom, Z, is in the 5- or 7-position; and when Z, and Z2 are both amino groups. Z, and Z2 are in the 5- and 7-positions; and the physiologically acceptable acid addition salt thereof.

  式 (I) 的化合物： 其中 W和W2各自独立地为氢原子或基团，其中 其中 Y 是 n-C1-6 烯基或具有 C1-6 烷基取代基的 n-C1-6 烯基；以及 R 和 R2 各自独立地是氢原子或 C1-5 烷基，且 中的基团 除吗啉基外，饱和杂环可具有至少一个 C1-4 烷基、羟基或卤原子作为取代基； Z 是氢原子、氯原子、溴原子、碘原子、羟基、氨基、C1-3 烷基或甲氧基； Z2 是氢原子或氨基； 当 W 和 W2 都是氢原子时，Z 是羟基或碘原子，Z2 是氢原子，或 Z 和 22 都是氨基； 当 Z 和 22 均为氢原子时，则 当 Z 和 22 均为氢原子时，W 或 W2 中的基团为吗啉基； 当 Z 为氯原子、羟基、碘原子、甲基或甲氧基时，Z2 为氢原子； 当 Z 为氨基时，Z2 为氢原子或氨基； 当 Z 是甲基、甲氧基或氨基时，Z 在 5 位；当 Z 是碘原子时，Z 在 5 或 7 位；当 Z 和 Z2 都是氨基时。Z和Z2分别位于5和7位；及其生理学上可接受的酸加成盐。
• MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER COMPOSITION, TIRE, AND METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER
  申请人：Japan Elastomer Co., Ltd.

  公开号：EP3517552A1

  公开（公告）日：2019-07-31

  A modified conjugated diene polymer satisfying the following conditions (I) to (IV): (I) at least two peaks are observed in a molecular weight distribution curve obtained from measurement by gel permeation chromatography (GPC); (II) when a peak of the highest molecular weight is defined as a peak (B), a peak of the largest peak area except for the peak (B) is defined as a peak (T) in the molecular weight distribution curve, a peak molecular weight of the peak (B) is from 500,000 to 2,500,000 and a peak molecular weight of the peak (T) is from 150,000 to 600, 000; (III) an area of the peak (T) is from 30% to 80% and a total value of an area of the peak (B) and the area of the peak (T) is 65% or more when the total area of the molecular weight distribution curve is defined as 100%; and (IV) a proportion of a modified polymer chain(s) in a region ranging from a low-molecular-weight side to a point of 5% cumulative area is from 60% to 99% in the molecular weight distribution curve.

  满足以下条件(I)至(IV)的改性共轭二烯聚合物： (I) 通过凝胶渗透色谱法（GPC）测量得到的分子量分布曲线中至少有两个峰； (II) 当分子量最高的峰被定义为峰（B）时，分子量分布曲线中除峰（B）外峰面积最大的峰被定义为峰（T），峰（B）的峰分子量为 500,000 至 2,500,000 之间，峰（T）的峰分子量为 150,000 至 600,000 之间； (III) 当分子量分布曲线的总面积定义为 100%时，峰（T）的面积为 30%至 80%，峰 （B）的面积和峰（T）的面积的总值为 65%或以上；以及 (IV) 在分子量分布曲线中，从低分子量侧到累积面积为 5%的点的区域中，改性聚合物 链的比例为 60%至 99%。
• Modified conjugated diene-based polymer and method for producing the same, and modified conjugated diene-based polymer composition
  申请人：Asahi Kasei Kabushiki Kaisha

  公开号：US10766972B2

  公开（公告）日：2020-09-08

  The present invention provides a modified conjugated diene-based polymer, wherein the Mooney stress-relaxation rate measured at 110° C. is 0.45 or less, and the modification percentage is 75% by mass or more.

  本发明提供了一种改性共轭二烯基聚合物，其中在 110° C 时测得的门尼应力松弛率为 0.45 或更低，改性百分比为 75% 或更高。