1-tert-butylaziridine-2-carbonitrile | 32063-84-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-tert-butylaziridine-2-carbonitrile
• 英文别名: 1-tert-Butyl-2-aziridincarbonitril；cyano-2 t-butyl-1 aziridine；1-tert-butyl-aziridine-2-carbonitrile；1-tert.-butyl-2-cyanoaziridine；1-tert-butyl-2-cyanoaziridine；1-tert-Butyl-2-cyan-aziridin
• CAS: 32063-84-6；35216-52-5
• 化学式: C₇H₁₂N₂
• 分子量: 124.186
• InChiKey: BSBUUBUYBRAQMM-UHFFFAOYSA-N

物化性质

• 沸点：
  185.4±33.0 °C(Predicted)
• 密度：
  0.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  26.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-tert-butylaziridine-2-carbonitrile 在 氟化氢吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 2-N-t-butylamino-3-fluoropropiononitrile
  参考文献：
  名称：

  吡啶溶液中的氟化氢与-cyano-2和-amido-2-aziridines的反应。通过β-氟-α-氨基腈和/或β-氟-α-氨基酸酰胺的酸性水解和醇解制备β-氟α-氨基酸和酯

  摘要：

  已研究了将吡啶鎓聚氟化氢（奥拉试剂）产生的氟化氢添加到某些-2-氰基和-2-氨基氮丙啶上。

  DOI：

  10.1016/s0022-1139(00)85554-2
• 作为产物：
  描述：

  2,3-二溴丙腈 、 叔丁胺 以 二甲基亚砜 为溶剂， 生成 1-tert-butylaziridine-2-carbonitrile
  参考文献：
  名称：

  吡啶溶液中的氟化氢与-cyano-2和-amido-2-aziridines的反应。通过β-氟-α-氨基腈和/或β-氟-α-氨基酸酰胺的酸性水解和醇解制备β-氟α-氨基酸和酯

  摘要：

  已研究了将吡啶鎓聚氟化氢（奥拉试剂）产生的氟化氢添加到某些-2-氰基和-2-氨基氮丙啶上。

  DOI：

  10.1016/s0022-1139(00)85554-2

文献信息

• Synthesis of Substituted Aziridines via Intramolecular Reaction of b-N-Chloroethylamino Carbanions
  作者：Mieczyslaw Makosza、Karolina Bobryk、Dariusz Krajewski

  DOI：10.3987/com-08-s(n)115

  日期：——

  2-alkoxycarbonyl, 2-cyano, 2-phenylsulfonyl N-alkylaziridines was elaborated via intramolecular nucleophiles substitution of chloride in 1-N-chloro-2-alkoxycarbonyl (cyano, phenylsulfonyl) ethyl amines. These substituted N-chloroamines are readily erasable via N-chlorination of the adducts of primary amines to Michael acceptors.

  通过在1-N-氯-2-烷氧基羰基（氰基、苯磺酰基）乙胺中进行氯化物的分子内亲核取代，阐述了一种简单、有效的合成2-烷氧基羰基、2-氰基、2-苯磺酰基N-烷基氮丙啶的方法。这些取代的 N-氯胺很容易通过伯胺加合物与迈克尔受体的 N-氯化作用而擦除。
• 3,4-Bis(trimethylsilyl)-1H-pyrrole: a versatile building block for unsymmetrically 3,4-disubstituted pyrroles
  作者：Ho-Wai Chan、Po-Ching Chan、Jian-Hui Liu、Henry N. C. Wong

  DOI：10.1039/a703921b

  日期：——

  3,4-Bis(trimethylsilyl)-1H-pyrrole 1c functions as a versatile building block for the construction of unsymmetrically 3,4-disubstituted pyrroles through the use of stepwise regiospecific ipso mono-halogenation, Sonogashira cross-coupling reactions and Suzuki cross-coupling reactions; the advantages of this strategy lie in its stepwise manner as well as in its prospect of yielding 3,4-disubstituted pyrroles with diverse substitution patterns.

  3,4-双(三甲基硅基)-1H-吡咯1c通过逐步区域特异性的ipso单卤化、Sonogashira交叉偶联反应和Suzuki交叉偶联反应，作为构建非对称3,4-二取代吡咯的多功能构建模块；该策略的优势在于其逐步方式以及有望生成具有多样取代模式的3,4-二取代吡咯。
• N-Substituted aziridine-2-carboxylic acid derivatives and their
  申请人：Boehringer Mannheim GmbH

  公开号：US04410532A1

  公开（公告）日：1983-10-18

  A 2-cyanaziridine derivative of the formula ##STR1## wherein R' is a straight-chained or branched, saturated or mono- or polyunsaturated aliphatic hydrocarbon radical with up to 8 carbon atoms, which is substituted by an aromatic nitrogen-containing heterocyclic radical with 5 or 6 ring-members and 1, 2 or 3 nitrogen atoms optionally substituted by halogen, alkoxy with up to 8 carbon atoms, alkyl with up to 8 carbon atoms, hydroxyl, carbalkoxy with up to 9 carbon atoms, carbamoyl, dialkylamino the alkyl moieties of which having up to 8 carbon atoms, cycloalkylamino, the cycloalkyl moiety having 3-10 carbon atoms, acetylamino, nitro, cyano, acetyl, alkylthio with up to 8 carbon atoms, alkylsulphinyl with up to 8 carbon atoms, alkylsulphonyl with up to 8 carbon atoms, sulphamoyl, phenyl, trifluoromethyl, phenoxy, acetoxy or methylenedioxy; or a pharmacologically acceptable salt thereof, exhibits immune stimulating activity.

  一种具有以下结构的2-氰基环氮烷衍生物##STR1##其中R'是直链或支链、饱和或单烯或多烯脂肪烃基，含有最多8个碳原子，被含有5个或6个环成员和1、2或3个氮原子的芳香氮杂环基取代，该芳香氮杂环基可以选择地被卤素、最多含有8个碳原子的烷氧基、最多含有8个碳原子的烷基、羟基、最多含有9个碳原子的羰基氧基、氨基甲酰、二烷基氨基，其中烷基基团含有最多8个碳原子，环烷基氨基，环烷基基团含有3-10个碳原子，乙酰氨基，硝基，氰基，乙酰基，最多含有8个碳原子的烷基硫基，最多含有8个碳原子的烷基磺基，最多含有8个碳原子的烷基磺酰基，磺酰氨基，苯基，三氟甲基，苯氧基，乙酰氧基或亚甲基二氧基；或其药理学上可接受的盐，具有免疫刺激活性。
• N-Substituted aziridine-2-carboxylic acid derivatives for immuno
  申请人：Boehringer Mannheim GmbH

  公开号：US04321194A1

  公开（公告）日：1982-03-23

  Aziridine-2-carboxylic acid derivatives of the formula ##STR1## wherein X is a carboxyl, nitrile, alkoxycarbonyl or carbamoyl group, and R and R.sup.1 are various organic radicals, or pharmacologically acceptable salts thereof, exhibit marked immunostimulant activity, especially in conjunction with added chemotherapeutic agents such as a penicillin, a cephalosporin, a nitrofuran or chloramphenicol. Those compounds are new where X is a cyano group or an alkoxycarbonyl radical and R.sub.1 is a hydrogen atom, but R' is not an unsubstituted alkyl radical or an alkyl radical substituted by hydroxyl, alkoxy, dialkylamino, phenyl, 4-chlorophenyl or 4-methoxyphenyl or a vinyl radical substituted by a phenyl or methyl radical, or a cycloalkyl radical, a phenyl a 4-chlorophenyl, a 4-methoxyphenyl, an s-triazinyl or a pyridinyl radical; or where X is a carbamoyl group and R.sub.1 is a hydrogen atom, R' is not an unsubstituted cyclohexyl, alkyl or benzyl radical; or where X is a cyano group or an alkoxycarbonyl radical and R.sub.1 is a phenyl radical, R' is not an isopropyl, cyclohexyl, phenyl, benzyl or p-chlorobenzyl radical; or where R.sub.1 is a methyl radical, R.sup.1 is not a benzyl, p-chloro- or p- methoxybenzyl radical.

  Aziridine-2-羧酸衍生物的化学式为##STR1## 其中X为羧基、腈基、烷氧羰基或氨基甲酰基，R和R.sup.1为各种有机基，或其药理学上可接受的盐，表现出明显的免疫刺激活性，特别是与添加的化疗药物如青霉素、头孢菌素、硝基呋喃或氯霉素结合使用时。这些化合物是新的，其中X为氰基或烷氧羰基基团，R.sub.1为氢原子，但R'不是未取代的烷基基团或被羟基、烷氧基、二烷基氨基、苯基、4-氯苯基或4-甲氧基苯基取代的烷基基团，或被苯基或甲基基团取代的乙烯基基团，或被环烷基基团、苯基、4-氯苯基、4-甲氧基苯基、s-三嗪基或吡啶基团取代的乙烯基基团；或X为氨基甲酰基基团且R.sub.1为氢原子时，R'不是未取代的环己基、烷基或苄基基团；或X为氰基或烷氧羰基基团且R.sub.1为苯基时，R'不是异丙基、环己基、苯基、苄基或对氯苄基基团；或R.sub.1为甲基基团时，R.sup.1不是苄基、对氯苄基或对甲氧基苄基基团。
• Hertenstein, Ulrich; Huenig, Siegfried; Reichelt, Helmut, Chemische Berichte, 1986, vol. 119, # 2, p. 699 - 721
  作者：Hertenstein, Ulrich、Huenig, Siegfried、Reichelt, Helmut、Schaller, Rainer

  DOI：——

  日期：——