1-硝基丙烯 | 27675-36-1

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 1-硝基丙烯
• 英文名称: cis-1-nitropropene
• 英文别名: Nitro-1-propen-1；1-nitropropene；cis-1-Nitro-1-propene；(Z)-1-nitroprop-1-ene
• CAS: 27675-36-1
• 化学式: C₃H₅NO₂
• 分子量: 87.0782
• InChiKey: RIHXMHKNTLBIPJ-IHWYPQMZSA-N

物化性质

• 沸点：
  8-9 °C(Press: 2 Torr)
• 密度：
  1.031±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2904209090

反应信息

• 作为反应物：
  描述：

  1-硝基丙烯 在 叠氮苯 作用下， 反应 96.0h， 以25%的产率得到2-硝基-1-丙烯
  参考文献：
  名称：

  Cailleux, P.; Piet, J. C.; Benhaoua, H., Bulletin des Societes Chimiques Belges, 1996, vol. 105, # 1, p. 45 - 52

  摘要：

  DOI：
• 作为产物：
  描述：

  (1E)-1-硝基-1-丙烯 在 aluminum oxide 作用下， 80.0 ℃ 、4.0 kPa 条件下， 反应 5.5h， 以21%的产率得到1-硝基丙烯
  参考文献：
  名称：

  苯丙氨酸甲酯和硝基酮1,2,3-二取代基4-硝基酮†

  摘要：

  开链醛和酮的烯胺与硝基烯烃反应生成2,3-二取代的4-硝基酮的立体反应过程

  DOI：

  10.1002/hlca.19850680120

文献信息

• Process for the preparation of 2,6-dialkylaniline from 1-nitroalkene
  申请人：Chevron Research Company

  公开号：US04506098A1

  公开（公告）日：1985-03-19

  A process for the preparation of 2,6-dialkylaniline which comprises the reaction of a 1-nitroalkene with a 1,3-alkadiene to form a dialkyl nitrocyclohexene adduct and subsequent reaction of the resulting adduct with hydrogen in the presence of a hydrogenation catalyst to form the corresponding dialkylcyclohexyl amine, followed by dehydrogenation with aqueous ammonia in the presence of a dehydrogenation catalyst.

  制备2,6-二烷基苯胺的过程，包括1-硝基烯与1,3-烯烃反应形成二烷基硝基环己烯加成物，随后将得到的加成物在氢化催化剂存在下与氢反应形成相应的二烷基环己基胺，再在脱氢催化剂存在下与水合氨进行脱氢。
• 5-Substituted pyranone compounds and their use as pharmaceuticals to
  申请人：Lilly Industries Limited

  公开号：US04364956A1

  公开（公告）日：1982-12-21

  Compounds are described of the formula ##STR1## in which R.sup.1 is COOR.sup.5, CONHR.sup.5, cyano, 5-tetrazolyl or 5-tetrazolylaminocarbonyl, where R.sup.5 is hydrogen or C.sub.1-6 alkyl; R.sup.2 is hydrogen or C.sub.1-6 alkyl; R.sup.3 is a group of the formula R.sup.6 --(Z).sub.m -- where m is O or 1, Z is O, S, SO, SO.sub.2 or CO, and R.sup.6 phenyl optionally substituted by one or more group selected from halogen, C.sub.1-4 alkyl, C.sub.3-6 cycloalkyl, C.sub.1-4 alkoxy, benzyloxy, hydroxy, nitro, C.sub.1-4 alkylthio, C.sub.1-4 alkylsulphinyl, C.sub.1-4 alkylsulphonyl, amino and NHR.sup.7 where R.sup.7 is C.sub.2-6 acyl; and R.sup.4 is hydrogen, C.sub.1-6 alkyl or halogen; and salts thereof. These compounds have pharmaceutical properties and in particular are useful in the treatment of immediate hypersensitivity conditions such as asthma.

  化合物的分子式为##STR1##其中R.sup.1是COOR.sup.5，CONHR.sup.5，氰基，5-四唑基或5-四唑基氨基甲酰，其中R.sup.5是氢或C.sub.1-6烷基；R.sup.2是氢或C.sub.1-6烷基；R.sup.3是R.sup.6--(Z).sub.m--的基团，其中m为O或1，Z为O，S，SO，SO.sub.2或CO，R.sup.6是苯基，可以选择地取代一个或多个来自卤素，C.sub.1-4烷基，C.sub.3-6环烷基，C.sub.1-4烷氧基，苄氧基，羟基，硝基，C.sub.1-4烷基硫基，C.sub.1-4烷基亚硫酰基，C.sub.1-4烷基磺酰基，氨基和NHR.sup.7的基团，其中R.sup.7是C.sub.2-6酰基；R.sup.4是氢，C.sub.1-6烷基或卤素；及其盐。这些化合物具有药用特性，特别是在治疗哮喘等即时过敏症状方面有用。
• Indole-5-acetamides for treatment of migraine
  申请人：Glaxo Group Limited

  公开号：US04650810A1

  公开（公告）日：1987-03-17

  Compounds are disclosed of general formula (I): ##STR1## wherein R.sub.1, R.sub.3, R.sub.4, R.sub.6 and R.sub.7, which may be the same or different, each represents a hydrogen atom or an alkyl group; R.sub.2 represents a hydrogen atom or an alkyl, aryl, aralkyl, cycloalkyl or alkenyl group; or R.sub.1 and R.sub.2, together with the nitrogen atom to which they are attached, form a saturated monocyclic 5 to 7-membered ring which may optionally contain a further hetero function; R.sub.5 represents a hydrogen atom or an alkyl or alkenyl group; or R.sub.4 and R.sub.5 together form an aralkylidene group; Alk represents an alkylene chain containing two or three carbon atoms which may be unsubstituted or substituted by not more than two C.sub.1-3 alkyl groups; and X represents an oxygen or sulphur atom; and physiologically acceptable salts, solvates and bioprecursors thereof. The compounds are described as potentially useful for the treatment of migraine and may be formulated as pharmaceutical compositions in conventional manner using one or more pharmaceutically acceptable carriers or excipients. Various processes for the preparation of the compounds are disclosed including, for example, a process involving reacting an indole having an appropriate nitrile group at the 5-position, with a suitable oxygen- or sulphur-containing compound in order to introduce the required amide or thioamide group at the 5-position on the indole nucleus.

  本发明涉及一般式(I)的化合物：其中R.sub.1、R.sub.3、R.sub.4、R.sub.6和R.sub.7，可以相同也可以不同，分别代表氢原子或烷基基团；R.sub.2代表氢原子或烷基、芳基、芳基烷基、环烷基或烯基基团；或者R.sub.1和R.sub.2与它们连接的氮原子一起形成一个饱和的单环5到7成员环，该环可能还含有另外的杂原子功能基团；R.sub.5代表氢原子或烷基或烯基基团；或者R.sub.4和R.sub.5一起形成芳基烷基亚甲基基团；Alk代表一个含有两个或三个碳原子的烷基链，该链可以未被取代或被不超过两个C.sub.1-3烷基基团取代；X代表氧原子或硫原子；以及其生理上可接受的盐、溶剂化合物和生物前体。所述化合物被描述为治疗偏头痛的潜在有用化合物，并且可以以传统方式制备为含有一种或多种医药上可接受的载体或赋形剂的药物组合物。公开了制备这些化合物的各种方法，例如，涉及将具有适当的5-位置上的腈基团的吲哚与适当的含氧或硫化合物反应以在吲哚核上引入所需的酰胺或硫酰胺基团的过程。
• Electronic interaction between the methyl group and trigonal carbon
  作者：Joseph B. Lambert、Ronald J. Nienhuis

  DOI：10.1021/ja00542a001

  日期：1980.10
• Hesse; Jaeger, Justus Liebigs Annalen der Chemie, 1970, vol. 740, p. 79,83
  作者：Hesse、Jaeger

  DOI：——

  日期：——