N-phenyl ketenimine | 42540-72-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-phenyl ketenimine
• 英文别名: N-phenylketenimine；N-Phenylketenimin；vinyliden-aniline；Vinyliden-anilin；Keten-anil；N-phenyl-ketinimine；N-ethenylideneaniline
• CAS: 42540-72-7
• 化学式: C₈H₇N
• 分子量: 117.15
• InChiKey: MJUXRARMNNVUNK-UHFFFAOYSA-N

物化性质

• 熔点：
  134 °C
• 沸点：
  195.8±23.0 °C(Predicted)
• 密度：
  0.85±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-phenyl ketenimine 生成 吲哚
  参考文献：
  名称：

  Maquestiau, Andre; Beugnies, Didier; Flammang, Robert, Journal of the Chemical Society. Perkin transactions II, 1988, p. 1071 - 1076

  摘要：

  DOI：
• 作为产物：
  描述：

  3-methyl-4-<(phenylamino)methylene>isoxazol-5(4H)-one 生成 N-phenyl ketenimine
  参考文献：
  名称：

  Winter, Hans-Wilhelm; Wentrup, Curt, Angewandte Chemie, 1980, vol. 92, # 9, p. 743 - 744

  摘要：

  DOI：

文献信息

• ANTIMICROBIAL CATIONIC POLYAMINES
  申请人：International Business Machines Corporation

  公开号：US20150342984A1

  公开（公告）日：2015-12-03

  Antimicrobial, non-hemolytic cationic polyamines were prepared by treating partially N-acylated polyethylenimines and/or partially oxidized polyethylenimines with a protic acid. The cationic polyamines can have a linear or branched polyethylenimine backbone structure. Preferably, the cationic polyamines comprise pendant urea groups, which can be introduced via a cyclic carbonate comprising a pendant urea group. The cationic polyamines can be active against a tuberculosis mycobacterium at low concentration. The cationic polyamines are also effective against Gram-negative Escherichia coli and Pseudomonas aeruginosa , Gram-positive Staphylococcus aureus , and fungus Candida albicans in solution and in the form of a film.

  抗菌、非溶血性阳离子聚胺是通过用一种质子酸处理部分N-酰化聚乙烯亚胺和/或部分氧化聚乙烯亚胺制备的。这些阳离子聚胺可以具有线性或支链聚乙烯亚胺骨架结构。最好的情况是，这些阳离子聚胺包括吊挂脲基团，可以通过含有吊挂脲基团的环状碳酸酯引入。这些阳离子聚胺在低浓度下可以对结核分枝杆菌起作用。这些阳离子聚胺对革兰氏阴性大肠杆菌和铜绿假单胞菌、革兰氏阳性金黄色葡萄球菌以及真菌白色念珠菌在溶液中和膜的形式中也具有有效性。
• HETERODIMERS OF GLUTAMIC ACID
  申请人：Babich John W.

  公开号：US20080193381A1

  公开（公告）日：2008-08-14

  Compounds of Formula (Ia) wherein R is a C 6 -C 12 substituted or unsubstituted aryl, a C 6 -C 12 substituted or unsubstituted heteroaryl, a C 1 -C 6 substituted or unsubstituted alkyl or —NR′R′, Q is C(O), O, NR′, S, S(O) 2 , C(O) 2 (CH2)p Y is C(O), O, NR′, S, S(O) 2 , C(O) 2 (CH2) p Z is H or C 1 -C 4 alkyl, R′ is H, C(O), S(O) 2 , C(O) 2 , a C 6 -C 12 substituted or unsubstituted aryl, a C 6 -C 12 substituted or unsubstituted heteroaryl or a C 1 -C 6 substituted or unsubstituted alkyl, when substituted, aryl, heteroaryl and alkyl are substituted with halogen, C 6 -C 12 heteroaryl, —NR′R′ or COOZ, which have diagnostic and therapeutic properties, such as the treatment and management of prostate cancer and other diseases related to NAALADase inhibition. Radiolabels can be incorporated into the structure through a variety of prosthetic groups attached at the X amino acid side chain via a carbon or hetero atom linkage.

  化合物的化学式（Ia），其中R是C6-C12取代或未取代的芳基，C6-C12取代或未取代的杂环芳基，C1-C6取代或未取代的烷基或-NR′R′，Q是C（O），O，NR′，S，S（O）2，C（O）2（CH2）p，Y是C（O），O，NR′，S，S（O）2，C（O）2（CH2）p，Z是H或C1-C4烷基，R′是H，C（O），S（O）2，C（O）2，C6-C12取代或未取代的芳基，C6-C12取代或未取代的杂环芳基或C1-C6取代或未取代的烷基，当取代时，芳基，杂环芳基和烷基取代为卤素，C6-C12杂环芳基，-NR′R′或COOZ，具有诊断和治疗特性，如治疗和管理前列腺癌和其他与NAALADase抑制相关的疾病。放射性标记可以通过连接到X氨基酸侧链的多种假体基团结构中。
• METHOD FOR THE PREPARATION OF ATORVASTATIN AND INTERMEDIATES USED THEREIN
  申请人：Ahn Soon Kil

  公开号：US20110015407A1

  公开（公告）日：2011-01-20

  The present invention relates to a novel method for preparing atorvastatin. According to the present invention, provided are a novel intermediate of the preparation of atorvastatin and a method of preparing large amounts of atorvastatin in a safe manner using the intermediate.

  本发明涉及一种制备阿托伐他汀的新方法。根据本发明，提供了一种制备阿托伐他汀的新中间体以及利用该中间体安全地制备大量阿托伐他汀的方法。
• Method for treating central nervous system disorders with substituted 2-imidazoline derivatives
  申请人：Hoener Marius

  公开号：US20070197569A1

  公开（公告）日：2007-08-23

  The present invention relates to a method for treating depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder (ADHD), stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders which comprises administering to an individual a therapeutically effective amount of a compound of formula I wherein R, X, A, and n are as defined in the specification and pharmaceutically active salts, racemic mixtures, enantiomers, optical isomers and tautomeric forms thereof.

  本发明涉及一种治疗抑郁症、焦虑障碍、双相情感障碍、注意力缺陷多动障碍（ADHD）、与压力相关的障碍、如精神分裂症等精神障碍、帕金森病等神经系统疾病、阿尔茨海默病等神经退行性疾病、癫痫、偏头痛、高血压、物质滥用和代谢性疾病，如进食障碍、糖尿病、糖尿病并发症、肥胖症、血脂异常、能量消耗和吸收障碍、体温稳态障碍和功能障碍、睡眠和昼夜节律障碍、心血管疾病的方法，包括向个体施用化合物I的治疗有效量，其中R、X、A和n如规范中所定义，以及其药用活性盐、外消旋混合物、对映体、光学异构体和互变异构体形式。
• Nitrile Imines and Nitrile Ylides: Rearrangements of Benzonitrile <i>N</i>-Methylimine and Benzonitrile Dimethylmethylide to Azabutadienes, Carbodiimides, and Ketenimines. Chemical Activation in Thermolysis of Azirenes, Tetrazoles, Oxazolones, Isoxazolones, and Oxadiazolones
  作者：Didier Bégué、Alain Dargelos、Hans M. Berstermann、Klaus P. Netsch、Pawel Bednarek、Curt Wentrup

  DOI：10.1021/jo402667y

  日期：2014.2.7

  Flash vacuum thermolysis (FVT) of 1-methyl-5-phenyltetrazole (5b), 2-methyl-5-phenyltetrazole (1b), and 3-methyl-5-phenyl-1,3,4-oxadiazol-2(3H)-one (3b) affords the nitrile imine (2b), which rearranges in part to N-methyl-N′-phenylcarbodiimide (7b). Another part of 2b undergoes a 1,4-H shift to the diazabutadiene (13). 13 undergoes two chemically activated decompositions, to benzonitrile and CH2═NH

  1-甲基-5-苯基四唑（5b），2-甲基-5-苯基四唑（1b）和3-甲基-5-苯基-1,3,4-恶二唑-2（3 H）的快速真空热解（FVT）） -酮（3b中），得到的腈亚胺（图2b），部分地重新排列其中N-甲基ñ ' - phenylcarbodiimide（图7b）。2b的另一部分发生1,4-H转变为二氮杂丁二烯（13）。13经历了两个化学活化的分解，分别生成苄腈和CH 2 = NH以及苯乙烯和N 2。2,2-二甲基-4-苯基-恶唑-5（2 H的FVT）-（16）在400°C时高收率生成3-甲基-1-苯基-2-氮杂丁二烯（18）。相反，在600°C时3,3-二甲基-2-苯基-1-叠氮烯（21）的FVT或在600°C时4,4-二甲基-3-苯基-异恶唑酮（20）的FVT仅给出azabutadiene（18）由于化学活化分解18到苯乙烯和乙腈。来自叠氮苯（21）的反应路径有两种：一种（路径a）

表征谱图