2-methyl-1,2,5,6-tetrahydrobenzonitrile | 4736-16-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-methyl-1,2,5,6-tetrahydrobenzonitrile
• 英文别名: 3-methyl-4-cyanocyclohex-1-ene；4-Cyano-3-methyl-1-cyclohexene；2-methyl-cyclohex-3-enecarbonitrile；2-Methyl-cyclohex-3-encarbonitril；3-Methyl-3-cyclohexenylcyanid；2-methylcyclohex-3-ene-1-carbonitrile
• CAS: 4736-16-7
• 化学式: C₈H₁₁N
• 分子量: 121.182
• InChiKey: QNBUNDFJTSPPAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-methyl-1,2,5,6-tetrahydrobenzonitrile 在 氢氧化钾 作用下， 以 乙酸乙酯 为溶剂， 反应 2.0h， 以88%的产率得到2-甲基-3-环己烯-1-羧酸
  参考文献：
  名称：

  摘要：

  DOI：

  10.1023/a:1010498625910
• 作为产物：
  描述：

  间戊二烯 、 丙烯腈 在 对苯二酚 作用下， 反应 12.0h， 以90%的产率得到2-methyl-1,2,5,6-tetrahydrobenzonitrile
  参考文献：
  名称：

  摘要：

  DOI：

  10.1023/a:1010498625910

文献信息

• A bond-forming initiation mechanism for spontaneous polymerisations accompanying Diels–Alder reactions
  作者：H. K. Hall、Anne Buyle Padias、Yufei Li、Hester A. Clever、Guangyi Wang

  DOI：10.1039/c39910001279

  日期：——

  A mechanism is proposed for the spontaneous polymerisations which accompany Diels–Alder reactions.

  提出了伴随狄尔斯-阿尔德反应的自发聚合作用机制。
• Evidence for 2-hexene-1,6-diyl diradicals accompanying the concerted Diels-Alder cycloaddition of acrylonitrile with nonpolar 1,3-dienes
  作者：Yufei Li、Anne Buyle Padias、H. K. Hall

  DOI：10.1021/jo00077a025

  日期：1993.12

  The spontaneous reactions of a series of alkyl 1,3-dienes with acrylonitrile (AN) were investigated. Reproducible spontaneous copolymerizations were shown to compete with the expected concerted [4 + 2] cycloadditions. For dienes which exist in s-cis/s-trans equilibrium, both copolymer and cycloadduct are formed. Kinetic measurements show that the alternating copolymerization and cycloaddition are two independent parallel second order reactions. With 1,3-cyclohexadiene and 1,2-dimethylenecyclohexane, for which s-gauche is in equilibrium with s-cis, copolymerization still competes with cycloaddition. The s-trans-locked verbenene forms only copolymer, while s-cis-locked cyclopentadiene and 1,2-dimethylenecyclopentane form only cycloadduct rapidly. Our explanation involves a 2-hexene- 1,6-diradical, formed by combination between the terminal carbons of the s-gauche or s-trans diene and acrylonitrile. This does not cyclize but initiates copolymerization. Competitively s-cis conformer undergoes classical concerted [4 + 2] addition.
• Arbusow; Kataew, Zhurnal Obshchei Khimii, 1950, vol. 20, p. 68,70, 76
  作者：Arbusow、Kataew

  DOI：——

  日期：——
• Nakagawa et al., Revue Roumaine de Chimie, 1979, vol. 24, p. 613,614-617
  作者：Nakagawa et al.

  DOI：——

  日期：——
• An analysis of the polar motion series from VLBI observations
  作者：Jinling Li、Guangli Wang

  DOI：10.1007/bf02909683

  日期：2000.11

  From the reduction of 2893 globally distributed astrometric and geodetic VLBI sessions from August 1979 to the end of 1998, coordinates of 722 radio sources at J2000.0, coordinates and velocities of 128 stations at J1997.0 and about 20 years Earth Orientation Parameters were estimated. From the analysis of the resultant polar motion series, the following are demonstrated: (i) During the VLBI data span the Markowitz wobble is not exhibited. (ii) The amplitudes of both annual and Chandler wobble show temporal variations, with the former being more obvious than the latter. (iii) Wavelet analysis shows that all the signals in the polar motion series are characterized by temporal variation in amplitudes. If we take any signal as strictly periodic, it is impossible to remove it completely from the polar motion series by least-squares fit because the hypothesis of a constant amplitude conflicts with VLBI measurements. (iv) By applying a filter, the secular polar motion was found to be (2.74 +/- 0.01) mas/a towards (83.9 +/- 0.3)degrees W longitude, which is smaller in rate and more westward in direction compared with those determined from optical observations or the combination of optical and space geodetic observations.