n-octylaminoacetonitrile | 73339-13-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: n-octylaminoacetonitrile
• 英文别名: N-octyl-glycine nitrile；N-Octyl-glycin-nitril；2-(Octylamino)acetonitrile
• CAS: 73339-13-6
• 化学式: C₁₀H₂₀N₂
• 分子量: 168.282
• InChiKey: CVXFHUXSGPKACI-UHFFFAOYSA-N

物化性质

• 沸点：
  120-125 °C(Press: 2 Torr)
• 密度：
  0.8611 g/cm3(Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  n-octylaminoacetonitrile 以 四氢呋喃 、 苯 为溶剂， 反应 31.0h， 生成 N-octyl-N-diphenylmethyl-amino-acetonitrile
  参考文献：
  名称：

  Katritzky, Alan R.; Latif, Muhammad; Urogdi, Laszlo, Journal of the Chemical Society. Perkin transactions I, 1990, p. 667 - 672

  摘要：

  DOI：
• 作为产物：
  描述：

  聚合甲醛 、 辛胺 、 氢氰酸 在 水 作用下， 生成 n-octylaminoacetonitrile
  参考文献：
  名称：

  α-(N-Alkylamino)-nitriles

  摘要：

  DOI：

  10.1021/ja01115a513

文献信息

• Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents
  申请人：Dyck E. Lillian

  公开号：US20050159393A1

  公开（公告）日：2005-07-21

  Novel compounds of the formula I are described: wherein: R 1 =(CH 2 ) m CH 3 where m is 0 or an integer in the range from 1 to 16, or an alkenyl, alkynyl, alkoxy, alkylthio, or alkyl sulfinyl group having from 2 to 17 carbon atoms, R 2 =H, CH 3 or CH 2 CH 3 R 3 =H or CH 3 R 4 =H or CH 3 R 5 =lower alkyl having from 1 to 5 carbon atoms n is an integer in the range from 1 to 3, and X is carboxyl (COOH) or carbalkoxy (COOR 5 ), cyano (C≡N), phosphonic acid (PO 3 H 2 ), phosphonate ester (PO 3 [R 5 ] 2 ) or 5-tetrazole, and pharmaceutically acceptable salts thereof. Preferably, the compounds are optically pure enantiomers of the R- or S-configuration in which R 3 =R 4 =R 5 =H, R 2 =CH 3 and R 1 is a saturated aliphatic chain of one to five carbon atoms. The compounds are useful as cellular rescue agents.

  描述了公式I的新化合物：其中：R1=(CH2)mCH3，其中m为0或在1到16范围内的整数，或者为具有2到17个碳原子的烯基、炔基、烷氧基、烷基硫醚或烷基亚砜基团，R2=H、CH3或CH2CH3，R3=H或CH3，R4=H或CH3，R5=具有1到5个碳原子的低碳基，n为1到3范围内的整数，X为羧基（COOH）或羧酰氧基（COOR5）、氰基（C≡N）、膦酸（PO3H2）、膦酸酯（PO3[R5]2）或5-四唑，并且其药学上可接受的盐。优选，这些化合物是R-或S-构型的光学纯对映体，其中R3=R4=R5=H，R2=CH3，R1是由一到五个碳原子组成的饱和脂肪链。这些化合物可用作细胞救助剂。
• Studies on anti-Fusarium disease activity of aminonitrile derivatives. I. Preventive activities of N-substituted-.ALPHA.-aminonitriles against Fusarium diseases.
  作者：Osamu KIRINO、Hirofumi OSHITA、Tadashi OISHI、Toshiro KATO

  DOI：10.1271/bbb1961.44.25

  日期：——

  Forty nine N-substituted-α-aminonitriles were prepared and their preventive activities against Fusarium diseases were determined. Relationships between chemical structure and preventive activity were examined and the systemic movement in plants was investigated with 14C-N-allylaminoacetonitrile. Of the compounds tested, N-sec-butyl-α-aminoisobutyronitrile and N-allylaminoacetonitrile were most effective in controlling yellows of the Japanese radish which were caused by Fusarium oxvsporum f. sp. raphani. N-Allylaminoacetonitrile showed remarkable systemic movement and a potent preventive activity against Fusarium wilts of cucumber and tomato not only by the soil drench test but also by the foliar spray assay.

  制备了49种代N-取代-α-氨基腈，并测定了它们对镰刀菌病害的防治活性。研究了化学结构与防治活性之间的关系，并使用14C-N-烯丙基氨基乙腈研究了其在植物中的系统运动。在测试的化合物中，N-仲丁基-α-氨基异丁腈和N-烯丙基氨基乙腈对由尖孢镰刀菌萝卜专化型引起的日本萝卜黄化病具有最佳的防治效果。N-烯丙基氨基乙腈显示出卓越的系统运动，对黄瓜和番茄的镰刀菌萎蔫病不仅通过土壤浸渍测试，还通过叶面喷雾法表现出强效的预防活性。
• Substituted α-(N-Alkylmelamino)-guanamines¹
  作者：Lawrence J. Exner、Peter L. deBenneville

  DOI：10.1021/ja01115a013

  日期：1953.10
• KATRITZKY, ALAN R.;LATIF, MUHAMMAD;UROGDI, LASZLO, J. CHEM. SOC. PERKIN TRANS. PT 1,(1990) N, C. 667-672
  作者：KATRITZKY, ALAN R.、LATIF, MUHAMMAD、UROGDI, LASZLO

  DOI：——

  日期：——
• ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS
  申请人：University of Saskatchewan Technologies Inc.

  公开号：EP1064254A2

  公开（公告）日：2001-01-03