1,3-二溴丙烷-D4 | 64528-94-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机溴化物
• 中文名称: 1,3-二溴丙烷-D4
• 英文名称: 1,1,3,3-tetradeutero-1,3-dibromopropane
• 英文别名: 1,3-dibromopropane-1,1,3,3-d₄；1,3-dibromo-1,1,3,3-d₄-propane；1,1,3,3-Tetradeuterio-1,3-dibrom-propan；1,3-Dibrom-1,1,3,3-tetradeutero-propan；1,3-dibromo-1,1,3,3-tetradeuterio-propane；1,3-Dibromopropane-1,1,3,3-D4；1,3-dibromo-1,1,3,3-tetradeuteriopropane
• CAS: 64528-94-5
• 化学式: C₃H₆Br₂
• 分子量: 205.857
• InChiKey: VEFLKXRACNJHOV-RRVWJQJTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  5
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  1,3-二溴丙烷-D4 、 sodium methylate 生成 C₄H₅⁽²⁾H₄BrO
  参考文献：
  名称：

  On the mechanism of the ethyl elimination from the molecular ion of 6-methoxy-1-hexene

  摘要：

  AbstractIt is shown by 13C and D labelling that the ethyl radical elimination from the molecular ion of 6‐methoxy‐1‐hexene is a very complex process involving at least two different channels. The major channel (80%) is induced by an initial 1,5‐hydrogen shift in the molecular ion from C(5) to C(l) leading via a series of steps to methoxy‐cyclohexnne, which then undergoes a ring contraction to 2‐methyl‐1‐methoxycyclopentane, being the key intermediate for the ethyl loss. The same key intermediate is formed in the other, minor channel (20%) by ring closure directly following an initial 1,6‐hydrogen shift in the molecular ion of 6‐methoxy‐1‐hexene from C(6) to C(l). Collision‐induced dissociation experiments on the [M − ethyl]+ ion from 6‐methoxy‐1‐hexene have further established that it has the unique structure of oxygen methyl cationized 2‐methyIpropen‐2‐al. This ion is also generated by ethyl loss from the molecular ion of 2‐methyl‐1‐methoxycyclopentane itself, as shown by collision‐induced dissociation experiments, thus confirming the key role of the intermediate mentioned.

  DOI：

  10.1002/oms.1210230513
• 作为产物：
  描述：

  1,3-propanediol-1,1,3,3-d₄ 在 三溴化磷 作用下， 反应 3.0h， 以29%的产率得到1,3-二溴丙烷-D4
  参考文献：
  名称：

  Menard, D.; St-Jacques, M., Canadian Journal of Chemistry, 1981, vol. 59, p. 1160 - 1168

  摘要：

  DOI：

文献信息

• SUBSTITUTED TRIAZOLOPYRIDINES
  申请人：Gant Thomas G.

  公开号：US20090209550A1

  公开（公告）日：2009-08-20

  Disclosed herein are substituted triazolopyridine serotonin reuptake modulators and/or 5-HT receptor modulators of Formula I, processes of preparation thereof, pharmaceutical compositions thereof, and methods of use thereof.

  本文披露了Formula I的替代三唑吡啶类血清素再摄取调节剂和/或5-HT受体调节剂，其制备方法，药物组合物以及使用方法。
• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSÉS ORGANIQUES
  申请人：INTRA CELLULAR THERAPIES INC

  公开号：WO2019183341A1

  公开（公告）日：2019-09-26

  The invention relates to particular deuterated substituted heterocycle fused gamma-carbolines, in free, solid, pharmaceutically acceptable salt and/or substantially pure form as described herein, pharmaceutical compositions thereof, and methods of use in the treatment of diseases involving the 5-HT2A receptor, the serotonin transporter (SERT), pathways involving the dopamine D1 and D2 receptor signaling system, and/or the -opioid receptor.

  本发明涉及特定氘代取代杂环融合的γ-喜树碱，其以自由、固态、药用可接受的盐和/或在本文中描述的基本纯净形式存在，以及其制备的药物组合物和在治疗涉及5-HT2A受体、血清素转运体（SERT）、多巴胺D1和D2受体信号通路和/或-阿片受体的疾病中使用的方法。
• Methylene rocking in cyclobutanedicarboxylic acid at 4.2 K. The geometry of a four-membered ring in its ground state
  作者：James A. Van Zee、Alvin L. Kwiram

  DOI：10.1021/ja00169a003

  日期：1990.6