octa-2,4,6-triynal | 2258-71-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: octa-2,4,6-triynal
• CAS: 2258-71-1
• 化学式: C₈H₄O
• 分子量: 116.119
• InChiKey: CBRJCBHBSCDIOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  octa-2,4,6-triynal 以 二氯甲烷 为溶剂， 生成 2-(E)-hexa-2,4-diynylidene-nona-3,5,7-triynal
  参考文献：
  名称：

  聚乙炔醛的二聚并消除一氧化碳

  摘要：

  在浓溶液中随着六氧化二碳的逸出，六（2,4-二炔），八（2,4-二炔）和八（2,4,6-三炔）（R [CC ] n ·CHO）二聚，得到类型R [C C] n – 1 ·CH C（CHO）·[C C] n R；高于100°时，甚至苯基炔丙基醛也会发生类似反应。“二聚体”的两个几何异构体均被检测并表征。

  DOI：

  10.1039/j39690000683
• 作为产物：
  描述：

  2,4,6-octatriyn-1-ol 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 生成 octa-2,4,6-triynal
  参考文献：
  名称：

  聚乙炔醛的二聚并消除一氧化碳

  摘要：

  在浓溶液中随着六氧化二碳的逸出，六（2,4-二炔），八（2,4-二炔）和八（2,4,6-三炔）（R [CC ] n ·CHO）二聚，得到类型R [C C] n – 1 ·CH C（CHO）·[C C] n R；高于100°时，甚至苯基炔丙基醛也会发生类似反应。“二聚体”的两个几何异构体均被检测并表征。

  DOI：

  10.1039/j39690000683

文献信息

• INHIBITORS OF STEAROYL-COA DESATURASE
  申请人：Gillespie Paul

  公开号：US20090149466A1

  公开（公告）日：2009-06-11

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, obesity.

  提供以下式(I)化合物： 以及药用可接受的盐，其中取代基如说明书中所披露。这些化合物以及包含它们的药物组合物可用于治疗诸如肥胖等疾病。
• Natural acetylenes. Part XXXI. C14-tetrahydropyranyl and other polyacetylenes from the compositae Dahlia coccinea Cav. var. coccinea
  作者：C. Chin、M. C. Cutler、Ewart R. H. Jones、J. Lee、S. Safe、V. Thaller

  DOI：10.1039/j39700000314

  日期：——

  The polyacetylene contents of one form of the species Dahlia coccinea Cav. var. coccinea and also of a horticultural form derived from the same species have been examined. The nineteen polyacetylenes detected comprised eight C13, eight C14, and three C17 compounds. Five of them were previously unknown; their isolation, characterisation, and structure determination are described. They are the C14 2

  大丽花椰菜Cav种的一种形式的聚乙炔含量。变种 球藻和从相同物种衍生的园艺形式也已进行了研究。检测到的十九种聚乙炔包括八个C 13，八个C 14和三个C 17化合物。其中有五个以前是未知的。描述了它们的隔离，表征和结构确定。它们是碳原子数为14的2,3分解的四氢呋喃CH 3 ·[C C] 3 ·CH [省略图] CH·[省略图]和CH 3 ·CH [省略图] CH·[ CC ] 2·CH [省略图] CH·[省略图]（R ＝ H或Ac），以及C 17乙酸酯CH 3 ·CH [省略图] CH·[ CC] 2 ·[CH省略图] CH] 2 ·CH（OAc）·[CH 2 ] 3 ·CH CH 2。
• (1S,5S)-3-(5,6-Dichloropyridin-3-YL)-3,6-Diazabicyclo[3.2.0]Heptane Benzenesulfonate
  申请人：Wayne Gregory S.

  公开号：US20090198067A1

  公开（公告）日：2009-08-06

  The present invention relates to the salt (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate and to methods of preparing the salt.

  本发明涉及盐（1S，5S）-3-（5,6-二氯吡啶-3-基）-3,6-二氮杂双环[3.2.0]庚烷苯磺酸盐及其制备方法。
• Bohlmann,F. et al., Chemische Berichte, 1965, vol. 98, p. 1736 - 1743
  作者：Bohlmann,F. et al.

  DOI：——

  日期：——
• Process for Preparing Benzodiazepines
  申请人：Dowdell Verity

  公开号：US20070293482A1

  公开（公告）日：2007-12-20

  A process for producing a compound which is a benzodiazepine derivative of formula: (I) wherein: represents or R 1 represents C 1-6 alkyl, aryl or heteroaryl; each R 3 is the same or different and represents halogen, hydroxy, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkylthio, C 1-6 haloalkyl, C 1-6 haloalkoxy, amino, mono(C 1-6 alkyl)amino, di(C 1-6 alkyl)amino, nitro, cyano, —CO 2 R′, —CONR′R″, —NH—CO—R′, —S(O)R′, —S(O) 2 R′, —NH—S(O) 2 R′, —S(O)NR′R″ or —S(O) 2 NR′R″, wherein each R′ and R″ is the same or different and represents hydrogen or C 1-6 alkyl; n is from 0 to 3; X represents —NH—, —N(C 1 -C 6 alkyl)-, —CO—, —CO—NR′—, —S(O)— or —S(O) 2 —, wherein R′ is hydrogen or a C 1 -C 6 alkyl group; and R 4 represents hydrogen; or —CO—R 4 ′ or —CO—NH—R 4 ′ , wherein R 4 ′ is a C 1 -C 6 alkyl, C 1 -C 6 hydroxyalkyl, aryl, heteroaryl, carbocyclyl or heterocyclyl group, which group is substituted by a C 1 -C 6 hydroxyalkyl, aryl, heteroaryl, carbocyclyl or heterocyclyl group or a —(C 1 -C 4 alkyl)-X 1 —(C 1 -C 4 alkyl)-X 2 —(C 1 -C 4 alkyl) group, wherein X 1 represents —O—, —S— or —NR′—, wherein R′ represents H or a C 1 -C 4 alkyl group and X 2 represents —CO—, —SO— or —SO 2 —; or R 4 ′ represents -A 1 -Y-A 2 , wherein: A 1 is an aryl, heteroaryl, carbocyclyl or heterocyclyl group; Y represents a direct bond or a C 1 -C 4 alkylene, —SO 2 —, —CO—, —O—, —S or —NR′—, wherein R′ is a C 1 -C 6 alkyl group; and A 2 is an aryl, heteroaryl, carbocyclyl or heterocyclyl group; or R 4 is a group selected from aryl-C(O)—C(O)—, heteroaryl-C(O)—C(O)—, carbocyclyl-C(O)—C(O)—, heterocyclyl-C(O)—C(O)— and -ZR 5 , wherein: Z represents —CO—, —S(O)— or —S(O) 2 ′; and R 5 represents C 1-6 alkyl, hydroxy, C 1-6 alkoxy, C 1-6 alkylthio, aryl, heteroaryl, carbocyclyl, heterocyclyl, aryl-(C 1-6 alkyl)-, heteroaryl-(C 1-6 alkyl)-, carbocyclyl-(C 1-6 alkyl)-, heterocyclyl-(C 1-6 alkyl)-, aryl-(C 1-6 alkyl)-O—, heteroaryl-(C 1-6 alkyl)-O—, carbocyclyl-(C 1-6 alkyl)-O—, heterocyclyl-(C 1-6 alkyl)-O— or —NR′R″ wherein each R′ and R″ is the same or different and represents hydrogen, C 1-6 alkyl, carbocyclyl, heterocyclyl, aryl, heteroaryl, aryl-(C 1-6 alkyl)-, heteroaryl-(C 1-6 alkyl)-, carbocyclyl-(C 1-6 alkyl)- or heterocyclyl-(C 1-6 alkyl)-; or a pharmaceutically acceptable salt thereof; which process comprises: (a) subjecting a racemic benzodiazepine derivative of formula: (IIa): wherein R 1 , R 3 , R 4 , n and X are as defined above, and R 2 represents an amino protecting group, to crystallisation induced dynamic resolution to yield a benzodiazepine derivative of formula (II): wherein, R 1 , R 2 , R 3 , R 4 , n and X are as defined above; and (b) deprotecting the benzodiazepine derivative of formula (II) as defined above to yield a benzodiazepine derivative of formula (I) or a pharmaceutically acceptable form thereof as defined above.