2-ethyl-1-nitro-2-butene | 760-02-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-ethyl-1-nitro-2-butene
• 英文别名: 4-chlor-3-hexanon；4-chloro-hexan-3-one；4-Chlor-hexan-3-on；Aethyl-(α-chlor-propyl)-keton；4-chloro-3-hexanone；3-Chlor-4-oxo-hexan；4-chlorohexan-3-one
• CAS: 760-02-1
• 化学式: C₆H₁₁ClO
• 分子量: 134.606
• InChiKey: JLRAWVOPMUYZEP-UHFFFAOYSA-N

物化性质

• 沸点：
  53.5 °C(Press: 17 Torr)
• 密度：
  0.986±0.06 g/cm3(Predicted)
• 保留指数：
  888

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 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：

  2-ethyl-1-nitro-2-butene 在 吡啶 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 24.1h， 生成 c-2-ethyl-1-methoxy-c-3-methyl-r-1-cyclopropyl-benzoat
  参考文献：
  名称：

  Foehlisch, Baldur; Gehrlach, Eberhard; Henle, Gerhard, Journal of Chemical Research, Miniprint, 1991, p. 1401 - 1461

  摘要：

  DOI：
• 作为产物：
  描述：

  3-己酮 在 磺酰氯 作用下， 生成 2-ethyl-1-nitro-2-butene
  参考文献：
  名称：

  Metzger; Koether, Annales Universitatis Saraviensis, Scientia, 1952, vol. 1, p. 151,154

  摘要：

  DOI：

文献信息

• An Expeditious One-Pot Synthesis of Thiiranes from α-Halo Ketones in Solvent­-Free Conditions Using Microwaves
  作者：Lal Dhar Yadav、Ritu Kapoor

  DOI：10.1055/s-2002-35222

  日期：——

  Thiiranes are obtained in excellent yields and with high diastereoselectivity upon microwave irradiation of a mixture of α-haloketones, O,O-diethyl hydrogen phosphorodithioate and alumina-supported sodium borohydride in solvent-free conditions.

  在无溶剂条件下，将α-卤代酮、O,O-二乙基氢膦双硫代酸酯和氧化铝负载的硼氢化钠混合物进行微波辐照，可以高产率和高对映选择性地合成噻丙烷。
• 1-Oxo-1H-thiazolo[3,2-a]pyrimidine-2-carboxamides
  申请人：Pfizer Inc.

  公开号：US04414388A1

  公开（公告）日：1983-11-08

  Antiallergy and antiulcer agents having the formula (I), ##STR1## and their pharmaceutically acceptable salts, wherein R.sub.1 and R.sub.2 taken separately are each hydrogen or lower alkyl; and R.sub.1 and R.sub.2 taken together are alkylene of 3-9 carbon atoms or phenylalkylene of 9-11 carbon atoms, with the proviso that the ring so formed is between 5- and 8-membered; acids of the formula (II), ##STR2## wherein R.sub.1 and R.sub.2 are as defined above and R.sub.3 is hydrogen, which are useful as intermediates for compounds of the formula (I), but in many instances also possess the same useful biological activity as do formula I compounds; and intermediates of the formula II wherein R.sub.1 and R.sub.2 are defined as above, and R.sub.3 is alkyl of 1 to 4 carbon atoms, carbalkoxy of 2 to 5 carbon atoms, carbophenoxy or carbobenzoxy, are also described.

  抗过敏和抗溃疡药物具有以下式(I)的结构，及其药学上可接受的盐，其中R.sub.1和R.sub.2分别为氢或较低的烷基；R.sub.1和R.sub.2一起为3-9个碳原子的烷基或9-11个碳原子的苯基烷基，但所形成的环在5-至8-成员之间；式(II)的酸，其中R.sub.1和R.sub.2如上定义，R.sub.3为氢，这些酸是化合物(I)的中间体，但在许多情况下也具有与化合物I相同的有用生物活性；以及式(II)的中间体，其中R.sub.1和R.sub.2如上定义，R.sub.3为1至4个碳原子的烷基，2至5个碳原子的羰基烷基，羰基苯氧基或羰基苯甲氧基。
• Antiulcer thiazol-2-ylcarbamoyl-carboxylic acids, esters and amides
  申请人：Pfizer Inc.

  公开号：US04321372A1

  公开（公告）日：1982-03-23

  This invention encompasses orally effective antiulcer agents of the formula ##STR1## wherein X is hydroxy, (C.sub.1 -C.sub.5)-alkoxy, phenoxy, benzyloxy, or --NH(CH.sub.2).sub.n Y wherein n is an integer of value 2 to 4 and Y is di-(C.sub.1 -C.sub.3)-alkylamino, 1-pyrrolidinyl, 1-piperidinyl or 4-morpholinyl; R' and R" when taken together are (C.sub.3 -C.sub.8)-alkylene, with the proviso that the ring so formed is 5- to 8-membered; R' and R" when taken separately are each independently hydrogen, (C.sub.1 -C.sub.6)-alkyl or (C.sub.5 -C.sub.6)-cycloalkyl, with the proviso that when X is other than --NH(CH.sub.2).sub.n Y, at least one of R' and R" is other than hydrogen; the pharmaceutically acceptable cationic salts thereof when X is hydroxyl, and the pharmaceutically acceptable anionic salts thereof when X is --NH(CH.sub.2).sub.n Y.

  这项发明涵盖了以下结构的口服抗溃疡药物：##STR1## 其中 X 是羟基、(C.sub.1 -C.sub.5)-烷氧基、苯氧基、苄氧基，或--NH(CH.sub.2).sub.n Y，其中 n 是值为 2 到 4 的整数，Y 是双-(C.sub.1 -C.sub.3)-烷基氨基、1-吡咯啉基、1-哌啶基或 4-吗啉基；当 R' 和 R" 结合在一起时为 (C.sub.3 -C.sub.8)-烷基烯，但所形成的环为 5 至 8 个成员；当 R' 和 R" 分别取时，它们各自独立地是氢、(C.sub.1 -C.sub.6)-烷基或 (C.sub.5 -C.sub.6)-环烷基，但当 X 不是 --NH(CH.sub.2).sub.n Y 时，R' 和 R" 中至少有一个不是氢。当 X 是羟基时，其在药学上可接受的阳离子盐，当 X 是 --NH(CH.sub.2).sub.n Y 时，其在药学上可接受的阴离子盐。
• CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID
  申请人：Yu Chung-Shan

  公开号：US20110306668A1

  公开（公告）日：2011-12-15

  A process for synthesizing and screening solution phase derived libraries of fenbufen and ethacrynic acid is provided in the present invention. Compounds in the present invention having cytotoxicities are useful for a variety of therapeutic applications.

  本发明提供了一种合成和筛选溶液相衍生的芬布芬和依他克酸库的过程。本发明中具有细胞毒性的化合物对多种治疗应用是有用的。
• Antiallergic and antiulcer
  申请人：Pfizer Inc.

  公开号：US04423048A1

  公开（公告）日：1983-12-27

  Antiallergy and antiulcer agents having the formula (I), ##STR1## and their pharmaceutically acceptable salts, wherein R.sub.1 and R.sub.2 taken separately are each hydrogen or lower alkyl; and R.sub.1 and R.sub.2 taken together are alkylene of 3-9 carbon atoms or phenylalkylene of 9-11 carbon atoms, with the proviso that the ring so formed is between 5- and 8-membered; acids of the formula (II), ##STR2## wherein R.sub.1 and R.sub.2 are as defined above and R.sub.3 is hydrogen, which are useful as intermediates for compounds of the formula (I), but in many instances also possess the same useful biological activity as do formula I compounds; and intermediates of the formula II wherein R.sub.1 and R.sub.2 are defined as above, and R.sub.3 is alkyl of 1 to 4 carbon atoms, carbalkoxy of 2 to 5 carbon atoms, carbophenoxy or carbobenzoxy, are also described.

  具有以下公式（I）的抗过敏和抗溃疡剂及其药学上可接受的盐，其中R.sub.1和R.sub.2分别为氢或低碳基；而R.sub.1和R.sub.2在一起则为3-9个碳原子的烷基或9-11个碳原子的苯基烷基，但所形成的环在5-8个成员之间；具有以下公式（II）的酸，其中R.sub.1和R.sub.2如上所定义，而R.sub.3为氢，这些酸对于公式（I）化合物的中间体是有用的，但在许多情况下，它们也具有与公式I化合物相同的有用生物活性；还描述了公式II的中间体，其中R.sub.1和R.sub.2如上所定义，而R.sub.3为1-4个碳原子的烷基，2-5个碳原子的羧基烷基，羧基苯氧基或羧基苯甲氧基。