4-氯-4-乙炔基庚烷 | 61822-32-0

• 分子结构分类: 有机化合物 - 乙炔化物
• 中文名称: 4-氯-4-乙炔基庚烷
• 英文名称: 4-chloro-4-ethynylheptane
• 英文别名: 1,1-Dipropyl-1-chlor-2-propin；3-chloro-3-propyl-hex-1-yne；1,1-di-n-propyl-1-chloro-2-propyne
• CAS: 61822-32-0
• 化学式: C₉H₁₅Cl
• 分子量: 158.671
• InChiKey: GQCJKMWBMMILDB-UHFFFAOYSA-N

物化性质

• 沸点：
  185.0±13.0 °C(Predicted)
• 密度：
  0.920±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  4-氯-4-乙炔基庚烷 在 盐酸 、 sodium 作用下， 以 乙醚 、 氨 为溶剂， 生成 1,1-Dipropyl-1-(propin-2-yl)-amin
  参考文献：
  名称：

  Active derivatives of methylamine, therapeutic compositions containing

  摘要：

  甲基胺衍生物的化学式为：##STR1##及其药用可接受的酸盐，其中R.sub.1和R.sub.3分别表示氢原子或含有1至6个碳原子的直链或支链烷基、烯基或炔基基团，R.sub.2表示含有2至7个碳原子的直链或支链烷基、烯基或炔基基团，但当R.sub.2表示化学式CH=CH--R.sub.4的烯基基团或化学式C.tbd.C--R.sub.4的炔基基团时，其中R.sub.4表示氢原子或含有1至5个碳原子的直链或支链烷基基团，R.sub.1和R.sub.3各自表示氢原子或烷基基团，R.sub.1、R.sub.2和R.sub.3使得化合物I的碳原子数不超过13个。它们可用于治疗帕金森病和纠正由神经阻滞剂引起的额外锥体外运动障碍。

  公开号：

  US04026925A1
• 作为产物：
  描述：

  4-庚酮 在 盐酸 、 正丁基锂 、 铜 、 copper(l) chloride 、 calcium chloride 作用下， 以 四氢呋喃 、 正己烷 、 水 为溶剂， 反应 5.5h， 生成 4-氯-4-乙炔基庚烷
  参考文献：
  名称：

  顺序催化环化：通过自由基 [1,4]-氧转移的杂环的发散合成

  摘要：

  通过线性炔烃束缚酮肟和乙炔基苯并氧唑啉（EBX）在连续催化条件下的反应实现了自由基[1,4]-氧原子转移。机理研究表明，O 原子转移经历了级联的 O 原子自由基环化/炔基化/N-O 键光裂解和随后的 N,O-双自由基重排。通过催化序列的多样化，在Cu/Ir光敏化和Cu的催化下，随着O原子的位移，不同地合成了一系列结构重要的3 H -pyrrol-3-ones和氯化呋喃[3,2- b ]吡咯。 /Ir光敏化/AlCl 3，分别。

  DOI：

  10.1021/acs.orglett.1c03883

文献信息

• Secondary amines
  申请人：Labaz

  公开号：US04201725A1

  公开（公告）日：1980-05-06

  Methylamine derivatives of the formula: ##STR1## and pharmaceutically acceptable acid addition salts thereof, wherein R.sub.1 and R.sub.3 each represent a hydrogen atom or a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 6 carbon atoms, R.sub.2 represents a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 2 to 7 carbon atoms with the proviso that when R.sub.2 represents an alkenyl radical of the formula CH.dbd.CH--R.sub.6 or an alkynyl radical of the formula C.tbd.C--R.sub.6, in which R.sub.6 represents a hydrogen atom or a straight- or branched-chain alkyl radical of 1 to 5 carbon atoms, R.sub.1 and R.sub.3 each represent an atom of hydrogen or an alkyl radical, R.sub.4 and R.sub.5, which are the same or different, each respresent a hydrogen atom, a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 5 carbon atoms or an .omega.-hydroxyalkyl radical containing from 2 to 5 carbon atoms or R.sub.4 and R.sub.5, when they are taken together represent an alkylene radical containing from 2 to 6 carbon atoms, an alkylidene radical containing from 1 to 5 carbon atoms or the radical --CH.sub.2 --CH.sub.2 --O--CH.sub.2 --CH.sub.2 --, R.sub.1, R.sub.2 and R.sub.3 being such that the trisubstituted methylamine radical possesses no more than 13 carbon atoms. They are useful for treating Parkinson's disease and for correcting extra-pyramidal disturbances provoked by neuroleptics.

  甲基胺衍生物的公式为：##STR1##以及药学上可接受的酸加成盐，其中R.sub.1和R.sub.3各自代表一个氢原子或一个含有1至6个碳原子的直链或支链烷基、烯基或炔基自由基，R.sub.2代表一个含有2至7个碳原子的直链或支链烷基、烯基或炔基自由基，条件是当R.sub.2代表一个公式为CH.dbd.CH--R.sub.6的烯基自由基或一个公式为C.tbd.C--R.sub.6的炔基自由基时，其中R.sub.6代表一个氢原子或一个含有1至5个碳原子的直链或支链烷基自由基，R.sub.1和R.sub.3各自代表一个氢原子或一个烷基自由基，R.sub.4和R.sub.5相同或不同，各自代表一个氢原子，一个含有1至5个碳原子的直链或支链烷基、烯基或炔基自由基，或一个含有2至5个碳原子的ω-羟基烷基自由基，或者R.sub.4和R.sub.5共同代表一个含有2至6个碳原子的亚烷基自由基，一个含有1至5个碳原子的亚烷基自由基或自由基--CH.sub.2 --CH.sub.2 --O--CH.sub.2 --CH.sub.2 --，R.sub.1、R.sub.2和R.sub.3使得三取代甲基胺自由基最多含有13个碳原子。它们可用于治疗帕金森病，并用于纠正由神经阻滞剂引起的锥体外系扰动。
• Active derivatives of methylamine in therapeutic compositions and
  申请人：Labaz

  公开号：US04057644A1

  公开（公告）日：1977-11-08

  Methylamine derivatives of the formula: ##STR1## and pharmaceutically acceptable acid addition salts thereof, wherein R.sub.1 and R.sub.3 each represent a hydrogen atom or a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 6 carbon atoms, R.sub.2 represents a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 2 to 7 carbon atoms with the proviso that when R.sub.2 represents an alkenyl radical of the formula CH.dbd.CH--R.sub.6 or an alkynyl radical of the formula C.tbd.C--R.sub.6, in which R.sub.6 represents a hydrogen atom or a straight- or branched-chain alkyl radical of 1 to 5 carbon atoms, R.sub.1 and R.sub.3 each represent an atom of hydrogen or an alkyl radical, R.sub.4 and R.sub.5, which are the same or different, each represent a hydrogen atom, a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 5 carbon atoms or an .omega.-hydroxyalkyl radical containing from 2 to 5 carbon atoms or R.sub.4 and R.sub.5, when they are taken together represent an alkylene radical containing from 2 to 6 carbon atoms, an alkylidene radical containing from 1 to 5 carbon atoms or the radical --CH.sub.2 --CH.sub.2 --O--CH.sub.2 --CH.sub.2 --, R.sub.1, R.sub.2 and R.sub.3 being such that the trisubstituted methylamine radical possesses no more than 13 carbon atoms. They are useful for treating Parkinson's disease and for correcting extra-pyramidal disturbances provoked by neuroleptics.

  Methylamine derivatives of the formula: ##STR1## and pharmaceutically acceptable acid addition salts thereof, wherein R.sub.1 and R.sub.3 each represent a hydrogen atom or a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 6 carbon atoms, R.sub.2 represents a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 2 to 7 carbon atoms with the proviso that when R.sub.2 represents an alkenyl radical of the formula CH.dbd.CH--R.sub.6 or an alkynyl radical of the formula C.tbd.C--R.sub.6, in which R.sub.6 represents a hydrogen atom or a straight- or branched-chain alkyl radical of 1 to 5 carbon atoms, R.sub.1 and R.sub.3 each represent an atom of hydrogen or an alkyl radical, R.sub.4 and R.sub.5, which are the same or different, each represent a hydrogen atom, a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 5 carbon atoms or an .omega.-hydroxyalkyl radical containing from 2 to 5 carbon atoms or R.sub.4 and R.sub.5, when they are taken together represent an alkylene radical containing from 2 to 6 carbon atoms, an alkylidene radical containing from 1 to 5 carbon atoms or the radical --CH.sub.2 --CH.sub.2 --O--CH.sub.2 --CH.sub.2 --, R.sub.1, R.sub.2 and R.sub.3 being such that the trisubstituted methylamine radical possesses no more than 13 carbon atoms. They are useful for treating Parkinson's disease and for correcting extra-pyramidal disturbances provoked by neuroleptics.
• Active derivatives of methylamine, therapeutic compositions containing
  申请人：Labaz

  公开号：US04026925A1

  公开（公告）日：1977-05-31

  Methylamine derivatives of the formula: ##STR1## and pharmaceutically acceptable acid addition salts thereof, wherein R.sub.1 and R.sub.3 each represent a hydrogen atom or a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 6 carbon atoms, R.sub.2 represents a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 2 to 7 carbon atoms with the proviso that when R.sub.2 represents an alkenyl radical of the formula CH=CH--R.sub.4 or an alkynyl radical of the formula C.tbd.C--R.sub.4, in which R.sub.4 represents a hydrogen atom or a straight- or branched-chain alkyl radical of 1 to 5 carbon atoms, R.sub.1 and R.sub.3 each represent an atom of hydrogen or an alkyl radical, R.sub.1, R.sub.2 and R.sub.3 being such that no compound of formula I possesses more than 13 carbon atoms. They are useful for treating Parkinson's disease and for correcting extra-pyramidal disturbances provoked by neuroleptics.

  甲基胺衍生物的化学式为：##STR1##及其药用可接受的酸盐，其中R.sub.1和R.sub.3分别表示氢原子或含有1至6个碳原子的直链或支链烷基、烯基或炔基基团，R.sub.2表示含有2至7个碳原子的直链或支链烷基、烯基或炔基基团，但当R.sub.2表示化学式CH=CH--R.sub.4的烯基基团或化学式C.tbd.C--R.sub.4的炔基基团时，其中R.sub.4表示氢原子或含有1至5个碳原子的直链或支链烷基基团，R.sub.1和R.sub.3各自表示氢原子或烷基基团，R.sub.1、R.sub.2和R.sub.3使得化合物I的碳原子数不超过13个。它们可用于治疗帕金森病和纠正由神经阻滞剂引起的额外锥体外运动障碍。
• Active derivatives of methylamino in therapeutic compositions and
  申请人：Labaz

  公开号：US04048334A1

  公开（公告）日：1977-09-13

  Methylamine derivatives of the formula: ##STR1## and pharmaceutically acceptable acid addition salts thereof, wherein R.sub.1 and R.sub.3 each represent a hydrogen atom or a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 6 carbon atoms, R.sub.2 represents a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 2 to 7 carbon atoms with the proviso that when R.sub.2 represents an alkenyl radical of the formula CH.tbd.CH--R.sub.4 or an alkynyl radical of the formula C=C--R.sub.4, in which R.sub.4 represents a hydrogen atom or a straight- or branched-chain alkyl radical of 1 to 5 carbon atoms, R.sub.1 and R.sub.3 each represent an atom of hydrogen or an alkyl radical, R.sub.1, R.sub.2 and R.sub.3 being such that no compound of formula I possesses more than 13 carbon atoms. They are useful for treating Parkinson's disease and for correcting extra-pyramidal disturbances provoked by neuroleptics.

  化学式为##STR1##的甲基胺衍生物及其药学上可接受的酸盐，其中R.sub.1和R.sub.3分别表示氢原子或含有1至6个碳原子的直链或支链烷基、烯基或炔基基团，R.sub.2表示含有2至7个碳原子的直链或支链烷基、烯基或炔基基团，但当R.sub.2表示公式CH.tbd.CH--R.sub.4的烯基基团或公式C=C--R.sub.4的炔基基团，其中R.sub.4表示氢原子或含有1至5个碳原子的直链或支链烷基基团时，R.sub.1和R.sub.3分别表示氢原子或烷基基团，R.sub.1、R.sub.2和R.sub.3的选择使得公式I的化合物中不含有超过13个碳原子。它们可用于治疗帕金森病并纠正由神经类药物引起的额外锥体外运动障碍。
• POPLAVSKAYA, I. A.;UMBETALIEVA, G. S.;DEMBITSKAYA, T. B.;SHIPUNOVA, L. K.+, IZV. AN KAZSSR. CEP. XIM.,(1990) N, S. 71-79
  作者：POPLAVSKAYA, I. A.、UMBETALIEVA, G. S.、DEMBITSKAYA, T. B.、SHIPUNOVA, L. K.+

  DOI：——

  日期：——