1-(3-Chlor-propyl)-octahydroazocin | 2148-25-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-(3-Chlor-propyl)-octahydroazocin
• 英文别名: 3-Heptamethyleniminopropylchlorid；N-(3-Chlorpropyl)-heptamethylenimin；1-(3-chloro-propyl)-azocane；1-(3-chloropropyl)perhydroazocine；1-(3-chloropropyl)azocane
• CAS: 2148-25-6
• 化学式: C₁₀H₂₀ClN
• 分子量: 189.728
• InChiKey: BEALZAGHRIUTGV-UHFFFAOYSA-N

物化性质

• 沸点：
  82-84 °C(Press: 0.4 Torr)
• 密度：
  0.956±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 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：

  1-(3-Chlor-propyl)-octahydroazocin 、 碘甲烷 生成 3-(1-methylazocan-1-ium-1-yl)propyl 2-phenylquinoline-4-carboxylate;iodide
  参考文献：
  名称：

  FELFOELDI K.; MOLNAR A.; BARTOK M., ACTA CHIM. ACAD. SCI. HUNG. , 1976, 90, NO 1, 75-91

  摘要：

  DOI：

文献信息

• Pyrimidine-2-sulphides and their S-oxides for use in medicine and
  申请人：Nyegaard & Co. A/S

  公开号：US04423047A1

  公开（公告）日：1983-12-27

  Compounds of the formula ##STR1## (wherein X represents a halogen atom; n is 0, 1 or 2; R.sup.1 and R.sup.2, which may be the same or different, each represents a hydrogen atom or a carboxyl, esterified carboxyl, amido or mono- or di-C.sub.1-4 alkylamido group or a C.sub.1-4 alkyl group which may if desired carry a carboxyl or esterified carboxyl group; and R.sup.3 represents a C.sub.1-32 saturated or unsaturated, straight or branched, cyclic or acyclic aliphatic group or an araliphatic or heterocyclic substituted aliphatic group, a heterocyclic group or an aryl group which groups may if desired carry one or more substituents selected from halogen atoms and oxo, nitro, hydroxy, etherified hydroxy, esterified hydroxy, primary, secondary or tertiary amino, acylamino etherified mercapto or S.dbd.O or --SO.sub.2 derivatives thereof and esterified phosphonic acid groups) and, where an acidic or basic group is present, physiologically compatible salts thereof have been found to be of use in combating abnormal cell proliferation. The compounds are prepared inter alia by oxidation of the corresponding sulfide, displacement of a leaving atom or group from the 2-position of the pyrimidine by reaction with a sulfinic acid or by ring closure of the pyrimidine ring.

  式##STR1##中的化合物（其中X代表卤素原子；n为0、1或2；R.sup.1和R.sup.2，可以相同也可以不同，每个代表氢原子或羧基、酯化羧基、酰胺基或单或双-C.sub.1-4烷基酰胺基或C.sub.1-4烷基基团，如果需要，可以带有羧基或酯化羧基团；R.sup.3代表C.sub.1-32饱和或不饱和、直链或支链、环状或非环状脂肪族基团或芳基脂肪族基团、芳基脂肪族基团、杂环取代脂肪族基团、杂环基团或芳基基团，这些基团如果需要，可以带有一个或多个卤素原子和氧代、硝基、羟基、醚化羟基、酯化羟基、一级、二级或三级氨基、酰胺基、醚化巯基或S.dbd.O或--SO.sub.2衍生物和酯化膦酸基团的取代基）以及存在酸性或碱性基团时，其生理相容盐已被发现可用于对抗异常细胞增殖。这些化合物可通过氧化相应的硫醚、通过与亚砜酸反应从嘧啶的2位处置换一个离去原子或基团，或通过嘧啶环的环闭合制备。
• 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。
• Pyrimidine-2-sulphides and their S-oxides for use in medicine, pharmaceutical compositions containing them, processes for their preparation and such compounds when novel per se
  申请人：NYEGAARD & CO. A/S

  公开号：EP0033195A1

  公开（公告）日：1981-08-05

  Compounds of the formula (wherein X represents a halogen atom; nis 0,1 or 2; R1 and R2, which may be the same or different, each represents a hydrogen atom or a carboxyl, esterified carboxyl, amido or mono-or di-C1-4 alkylamido group or a C1-4 alkyl group which may if desired carry a carboxyl or esterified carboxyl group; and R3 represents a Ci-32 saturated or unsaturated, straight or branched, cyclic or acyclic aliphatic group or an araliphatic or heterocyclic substituted aliphatic group, a heterocyclic group or an aryl group which groups may if desired carry one or more substituents selected from halogen atoms and oxo, nitro, hydroxy, etherified hydroxy, esterified hydroxy, primary, secondary or tertiary amino, acylamino etherified mercapto or S = 0 or -SO2 derivatives thereof and esterified phosphoric acid groups) and, where an acidic or basic group is present, physiologically compatible salts thereof have been found to be of use in combating abnormal cell proliferation. The compounds are prepared inter alia by oxidation of the corresponding sulfide, displacement of a leaving atom or group from the 2-position of the pyrimidine by reaction with a sulfinic acid or by ring closure of the pyrimidine ring.

  式中化合物 (其中 X 代表卤素原子；n 为 0、1 或 2；R1 和 R2（可以相同或不同）各自代表氢原子或羧基、酯化羧基、氨基或单或双-C1-4 烷基氨基或 C1-4 烷基（如需要可带羧基或酯化羧基）；在存在酸性或碱性基团的情况下，其生理相容性盐类可用于抑制异常细胞增殖。这些化合物的制备方法包括相应硫化物的氧化、通过与亚硫酸反应将嘧啶 2 位上的离去原子或基团置换或嘧啶环的闭环。
• 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。