庚基肼 | 2656-72-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 庚基肼
• 中文别名: S(-)-a-苯乙胺；(S)-(-)-苯乙胺；S(-)-α-甲基苄胺
• 英文名称: heptylhydrazine
• 英文别名: n-Heptyl-hydrazin；n-Heptylhydrazin；Heptylhydrazin
• CAS: 2656-72-6
• 化学式: C₇H₁₈N₂
• 分子量: 130.233
• InChiKey: AETGYOWKOXPRCB-UHFFFAOYSA-N

物化性质

• 沸点：
  141.6°C (estimate)
• 密度：
  0.8072 (estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  9
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  庚基肼 、 3,3-二氯-1-苯基-2-丙烯-1-酮 在 三乙胺 作用下， 以 异丙醇 为溶剂， 以90%的产率得到5-chloro-1-heptyl-3-phenyl-1H-pyrazole
  参考文献：
  名称：

  Chloro(bromo)vinyl ketones and 2,2-Dichloroacrolein in Reactions with Hydrazines

  摘要：

  Reactions of 2,2-dichlorovinyl and 2,2-dibromovinyl ketones with alkylhydrazines afford respectively 1-R-3-alkyl(aryl)-5-chloro- or 5-bromopyrazoles in preparative yields. The dichloroacrolein forms with alkylhydrazines and dimethylhydrazine only the corresponding hydrazones. Quantum-chemical calculations were performed characterizing the structure of the obtained ketones and dichloroacrolein C, alkylhydrazones, of dichloroacrolein dimethylhydrazone, of 1-alkyl-5-chloropyrazolinium halides, and 1-alkyl-5-chloropyrazoles.

  DOI：

  10.1023/b:rujo.0000010172.72180.4f
• 作为产物：
  描述：

  1-氯庚烷 在 肼 作用下， 以 乙醇 为溶剂， 生成 庚基肼
  参考文献：
  名称：

  The Anomalous Hydrogenation of Carbomethoxyhydrazones¹

  摘要：

  DOI：

  10.1021/jo01056a545

文献信息

• ARYL DIHYDROPYRIDINONE AND PIPERIDINONE MGAT2 INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：US20130143843A1

  公开（公告）日：2013-06-06

  The present invention provides compounds of Formula (I): or a stereoisomer, or a pharmaceutically acceptable salt thereof, wherein all of the variables are as defined herein. These compounds are monoacylglycerol acyltransferase type 2 (MGAT2) inhibitors which may be used as medicaments.

  本发明提供了以下式（I）的化合物： 或其立体异构体，或其药学上可接受的盐，其中所有变量如本文所定义。这些化合物是单酰基甘油酰基转移酶2（MGAT2）抑制剂，可用作药物。
• METHOD FOR PRODUCING POLYMERIZABLE COMPOUND
  申请人：DIC Corporation

  公开号：US20180354922A1

  公开（公告）日：2018-12-13

  The polymerizable compound has a hydrazone moiety. The present invention also provides a polymerizable composition in which discoloration and reduction of aligning property do not easily occur. Furthermore, the present invention provides a polymer obtained by polymerizing a polymerizable composition containing a compound obtained by the production method and an optically anisotropic body using the polymer. The present invention provides a method for producing a polymerizable compound including a step of reacting a compound represented by General Formula (I-B-a) with a compound represented by General Formula (I-B-b) to obtain a compound represented by General Formula (I-C), and provides a composition which contains a compound obtained by this production method.

  这种可聚合化合物具有醛肟基团。本发明还提供了一种可聚合组合物，其中不容易发生变色和对齐性能降低。此外，本发明提供了一种通过聚合含有通过生产方法获得的化合物的可聚合组合物以及使用聚合物制备光学各向异性体的聚合物。本发明提供了一种生产可聚合化合物的方法，包括将通式（I-B-a）表示的化合物与通式（I-B-b）表示的化合物反应以获得通式（I-C）表示的化合物的步骤，并提供了包含通过这种生产方法获得的化合物的组合物。
• Synthesis, structure, and characteristics of 1,2-dichlorovinyl alkyl ketones
  作者：G. V. Bozhenkov、G. G. Leckovskaya、L. I. Larina、P. E. Ushakov、G. V. Dolgushin、A. N. Mirskova

  DOI：10.1007/s11178-005-0064-7

  日期：2004.11

  A method of alkyl 1,2-dichlorovinyl ketones preparation from acyl halides and 1,2-dichloroethylene was developed. The configurational equilibrium and electronic structure of alkyl 1,2-dichlorovinyl ketones was investigated by IR, 1H and 13C NMR spectroscopy, by measuring dipole moments, and by quantum-chemical calculations using methods RHF and B3LYP in the basis 6–311++G (d,p). Alkyl 1,2-dichlorovinyl ketones are stable in the Z, s-cis-configuration where the olefin proton is involved into an intramolecular hydrogen bond with the oxygen of the carbonyl group. Reaction of 1,2-dichlorovinyl ketones with alkylhydrazines afforded 1-alkyl-3-alkyl-4-chloropyrazoles. The reaction of alkyl 1,2-dichlorovinyl ketones with 1,1-dimethylhydrazine involved dehydrochlorination and afforded 1,1-dimethylhydrazinium hydrochloride and a mixture of compounds with uncertain structure.

  开发了一种从酰卤和1,2-二氯乙烯制备烷基1,2-二氯乙烯酮的方法。通过红外光谱、氢谱和碳谱，测量偶极矩，并使用RHF和B3LYP方法在6–311++G (d,p)基组下进行量子化学计算，研究了烷基1,2-二氯乙烯酮的构型平衡和电子结构。烷基1,2-二氯乙烯酮在Z，s-cis构型中是稳定的，其中烯烃质子与羰基氧形成分子内氢键。1,2-二氯乙烯酮与烷基肼反应生成1-烷基-3-烷基-4-氯吡唑。烷基1,2-二氯乙烯酮与1,1-二甲基肼的反应涉及脱氯化并生成1,1-二甲基肼氯化铵和一系列结构不确定的化合物混合物。
• One-stage procedure of synthesis of highly reactive α-chloro-β-ketoacetals. 4-chloropyrazoles from α-chloro-β-ketodimethoxyacetals
  作者：G. V. Bozhenkov、V. A. Savosik、A. N. Mirskova、G. G. Levkovskaya

  DOI：10.1134/s1070428008020024

  日期：2008.2

  Conditions were developed where the reaction of alkyl 1,2-dichlorovinyl ketones with alcohols and 1,2-dihydroxybenzenes led to the formation of the corresponding open-chain and cyclic α-chloro-β-ketoacetals. The reaction of α-chloro-β-alkylketodimethoxyacetals with alkyl-, benzyl-, and arylhydrazines resulted in 1,3-substituted 4-chloropyrazoles in 70–90% yields demonstrating that primarily formed 2,2-dimethoxy-1-chloroethyl alkyl ketones hydrazones underwent heterocyclization.

  开发了一些条件，使得烷基1,2-二氯乙烯酮与醇和1,2-二羟基苯的反应生成相应的开放链和环状α-氯-β-酮乙缩醛。α-氯-β-烷基酮二甲氧基乙缩醛与烷基、苄基和芳基肼的反应生成了1,3-取代的4-氯吡唑，产率为70-90%，表明主要生成的2,2-二甲氧基-1-氯乙基烷基酮肼类化合物发生了杂环化反应。
• [EN] PYRIMIDINE AMIDE COMPOUNDS AND USE THEREOF<br/>[FR] COMPOSÉS DE PYRIMIDINE AMIDE ET LEUR UTILISATION
  申请人：ALPHALA CO LTD

  公开号：WO2021080980A1

  公开（公告）日：2021-04-29

  Disclosed are compounds of formula (I) below or a stereoisomer, a tautomer, or a pharmaceutically acceptable salt thereof: (I), in which each of variables each of variables R, R1, R2, X1, X2, X3 and n is defined herein. Also disclosed is a method for treating a cancer with a compound of formula (I) or a salt thereof and a pharmaceutical composition containing same.

  揭示了以下式（I）的化合物或其立体异构体、互变异构体或药学上可接受的盐：（I），其中定义了变量R、R1、R2、X1、X2、X3和n中的每一个。还揭示了使用式（I）的化合物或其盐治疗癌症的方法，以及含有相同化合物的药物组合物。