decyl-1-nitrite | 1653-57-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: decyl-1-nitrite
• 英文别名: 1-nitrosooxy-decane；nitrous acid decyl ester；Salpetrigsaeure-decylester；Decylnitrit；n-Decyl-nitrit；n-Decylnitrit；Decyl nitrite
• CAS: 1653-57-2
• 化学式: C₁₀H₂₁NO₂
• 分子量: 187.282
• InChiKey: SXUKVAAVKCDPPR-UHFFFAOYSA-N

物化性质

• 沸点：
  207.04°C (estimate)
• 密度：
  0.9340 (estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  13
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  decyl-1-nitrite 生成 1-decoxy radical
  参考文献：
  名称：

  1-己氧基和1-庚氧基的几种构象异构体的旋转分辨电子光谱

  摘要：

  已在喷射冷却环境中记录了 1-己氧基的五个振动带和 1-庚氧基的三个带的激光诱导荧光激发光谱。通过对振动带的部分分辨旋转结构的分析，获得了 和 状态以及状态分量的旋转常数的实验值。将这些实验结果与量子化学计算进行比较，并使用较小烷氧基的相应分配作为指导，允许对带进行明确的构象分配。还讨论了对更大烷氧基的类似分配的扩展。关键词：电子光谱，有机自由基，燃烧，大气化学。

  DOI：

  10.1139/v04-056
• 作为产物：
  描述：

  癸基溴 在 NO2 作用下， 以 二氯甲烷 为溶剂， 生成 decyl-1-nitrite
  参考文献：
  名称：

  Munz,R.; Simchen,G., Liebigs Annalen der Chemie, 1979, p. 628 - 638

  摘要：

  DOI：

文献信息

• Process for making triazoles
  申请人：UNIROYAL, INC.

  公开号：EP0075459A2

  公开（公告）日：1983-03-30

  The invention provides a process for preparing triazoles comprising reacting a compound having the structural formula with a compound having the formula in the presence of C6-C10 alkanol, wherein n is 0, 1 or 2, R ist C1-C10 alkyl and R1 is hydrogen or C1-C10 alkyl.

  本发明提供了一种制备三唑类化合物的工艺，包括将结构式为 与结构式为 其中n为0、1或2，Rt为C1-C10烷基，R1为氢或C1-C10烷基。
• Stabilization of amine alanes
  申请人：ETHYL CORPORATION

  公开号：EP0291776A2

  公开（公告）日：1988-11-23

  Amine alane decomposition can be reduced or elimi­nated by using an effective amount of a decomposition retarding agent selected from the class consisting of oxygen, carbon monoxide, nitrogen oxides, and alkyl nitrites.

  通过使用有效量的分解延缓剂（选自氧气、一氧化碳、氮氧化物和亚硝酸烷基酯），可以减少或消除胺烷烃的分解。
• Process for preparing haloketo acid derivatives
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0441371A1

  公开（公告）日：1991-08-14

  Process for preparing haloketo acid derivatives [I]: wherein R is H or C₁₋₆ alkyl, and X is a chlorine or bromine, which comprises reacting β-oxo-acid ester [II]: wherein R¹ is C₁₋₆ alkyl, R² is C₁₋₅ alkyl or OR³ (R³ is C₁₋₆ alkyl), and X is the same as above, with nitrosating agent [IV]:         ONOR⁴   [IV] wherein R⁴ is H, alkyl, halogen or SO₃H to give 7-halo-2-hydroxyiminoheptanoic acid ester [III]: wherein R¹ and X are the same as above, followed by reacting the product with aldehyde or ketone; and intermediates therefor, and process for preparing said intermediates. Said haloketo acid derivatives are useful as intermediate for synthesis of cilastatin, which is useful as medicament, especially as dehydropeptidase inhibitor.

  卤酮酸衍生物的制备工艺 [I]： 其中 R 是 H 或 C₁₋₆烷基，X 是氯或溴，包括使 β-氧代酸酯[II]反应： 其中 R¹ 是 C₁₋₆烷基，R² 是 C₁₋₅烷基或 OR³（R³ 是 C₁₋₆烷基），X 同上： ONOR⁴ [IV]. 其中 R⁴ 是 H、烷基、卤素或 SO₃H，得到 7-卤代-2-羟基亚氨基庚酸酯 [III]： 其中 R¹ 和 X 与上述相同，然后将产物与醛或酮反应；及其中间体，以及制备上述中间体的工艺。上述卤酮酸衍生物可用作合成西司他丁的中间体，西司他丁可用作药物，特别是脱氢肽酶抑制剂。
• A New Method for the Synthesis of Aliphatic Nitro Compounds^1,2
  作者：Nathan Kornblum、Harold O. Larson、Robert K. Blackwood、David D. Mooberry、Eugene P. Oliveto、Galen E. Graham

  DOI：10.1021/ja01588a059

  日期：1956.4
• Secondary Organic Aerosol Formation via the Isolation of Individual Reactive Intermediates: Role of Alkoxy Radical Structure
  作者：Anthony J. Carrasquillo、James F. Hunter、Kelly E. Daumit、Jesse H. Kroll

  DOI：10.1021/jp506562r

  日期：2014.9.25

  The study of the chemistry underlying secondary organic aerosol (SOA) formation is complicated by the large number of reaction pathways and oxidation generations available to a given precursor species. Here we simplify such complexity to that of a single alkoxy radical (RO), by forming SOA via the direct photolysis of alkyl nitrite (RONO) isomers. Chamber experiments were conducted with 11 C10 RONO isomers to determine how the position of the radical center and branching of the carbon skeleton influences SOA formation. SOA yields served as a probe of RO reactivity, with lower yields indicating that fragmentation reactions dominate and higher yields suggesting the predominance of RO isomerization. The largest yields were from straight-chain isomers, particularly those with radical centers located toward the terminus of the molecule. Trends in SOA yields can be explained in terms of two major effects: (1) the relative importance of isomerization and fragmentation reactions, which control the distribution of products, and (2) differences in volatility among the various isomeric products formed. Yields from branched isomers, which were low but variable, provide insight into the degree of fragmentation of the alkoxy radicals; in the case of the two β-substituted alkoxy radicals, fragmentation appears to occur to a greater extent than predicted by structure-activity relationships. Our results highlight how subtle differences in alkoxy radical structure can have major impacts on product yields and SOA formation.