trans-2,3-Dimethyltetralin | 10074-97-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: trans-2,3-Dimethyltetralin
• 英文别名: 2,3-trans-dimethyltetralin；(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
• CAS: 10074-97-2
• 化学式: C₁₂H₁₆
• 分子量: 160.259
• InChiKey: NJOXXZPRVMTBBP-UWVGGRQHSA-N

物化性质

• 沸点：
  232.5±10.0 °C(Predicted)
• 密度：
  0.909±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  (2R,3S)-2,3-dimethyl-4-phenylbutanoic acid 生成 trans-2,3-Dimethyltetralin
  参考文献：
  名称：

  HAGISHITA, SANJI;KURIYAMA, KAORU, BULL. CHEM. SOC. JAP., 1982, 55, N 10, 3216-3224

  摘要：

  DOI：

文献信息

• An Improvement of the Palladium-Catalyzed [4+2] Cycloaddition of o-(Silylmethyl)benzyl Carbonates with Alkenes
  作者：Ryoichi Kuwano、Yushu Jin、Kentaro Ishizuka

  DOI：10.1055/s-0034-1379014

  日期：——

  complex, which is generated in situ from Pd(η 3-C3H5)Cp and tris(4-methoxy-3,5-dimethylphenyl)phosphine, catalyzed the [4+2] cycloaddition of o-(silylmethyl)benzyl carbonates with alkenes. The reaction of the benzyl esters with methyl crotonate gave methyl 3-methyltetralin-2-carboxylate in 84% yield with 2% catalyst loading.

  钯配合物由 Pd(η 3-C3H5)Cp 和三（4-甲氧基-3,5-二甲基苯基）膦原位生成，催化邻（甲硅烷基甲基）苄基碳酸酯与烯烃。苄酯与巴豆酸甲酯的反应以84%的收率和2%的催化剂负载得到3-甲基四氢化萘-2-羧酸甲酯。
• Characterization of new methyl-substituted tetralins and indans by13C NMR spectroscopy
  作者：T. Laurens、F. Schmit-Quilès、D. Nicole

  DOI：10.1002/mrc.1260330706

  日期：1995.7

  In order to perform the analysis of the components contained in fossil fuels, carbon assignments of new methylated derivatives of tetralin and indan were obtained. Their chemical shifts were calculated by applying additivity rules.

  为了对化石燃料中所含的成分进行分析，获得了四氢萘和茚满的新甲基化衍生物的碳分配。它们的化学位移是通过应用可加性规则计算的。
• Synthesis of nickel–tungsten sulfide hydrodearomatization catalysts by the decomposition of oil-soluble precursors
  作者：I. A. Sizova、A. B. Kulikov、M. I. Onishchenko、S. I. Serdyukov、A. L. Maksimov

  DOI：10.1134/s0965544115080174

  日期：2016.1

  Nickel–tungsten sulfide catalysts for the hydrogenation of aromatic hydrocarbons have been prepared by the in situ decomposition of an oil-soluble tungsten hexacarbonyl precursor in a hydrocarbon feedstock using oil-soluble nickel salt nickel(II) 2-ethylhexanoate as a source of nickel. The in situ synthesized Ni–W–S catalyst has been characterized by X-ray photoelectron spectroscopy. The activity of

  通过使用油溶性镍盐2-乙基己酸镍（II）镍（II）原位分解烃类原料中的油溶性六羰基钨前驱物，制备了用于芳烃氢化的镍-钨硫化物催化剂。原位合成的Ni–W–S催化剂已通过X射线光电子能谱进行了表征。在间歇式反应器中，在350℃的温度和5.0MPa的氢气压力下，在双环芳烃的氢化和二苯并噻吩的转化中，已经研究了所得催化剂的活性。结果表明，最佳的W：Ni摩尔比为1：2。以高硫和芳烃含量的原料进行加氢精制为例，
• Carbon-13 magnetic resonance of hydroaromatics. II. Conformation of Tetralin and tetrahydroanthracene and their methyl derivatives
  作者：Frederick G. Morin、W. James Horton、David M. Grant、Don K. Dalling、Ronald J. Pugmire

  DOI：10.1021/ja00350a042

  日期：1983.6

  Carbon-13 chemical shift data have been acquired for 36 methylated tetralins and tetrahydroanthracenes. A least-squares regression analysis has been undertaken on the ring carbons of compounds of unequivocal conformation to determine methyl substituent parameters for the two distinct aliphatic positions and the results have been used to estimate the position of equilibrium of conformationally mobile

  已获得 36 种甲基化四氢萘和四氢蒽的碳 13 化学位移数据。对明确构象的化合物的环碳进行了最小二乘回归分析，以确定两个不同脂肪族位置的甲基取代参数，结果已用于估计构象移动化合物的平衡位置。得出的结论是，1-甲基萘满在室温下以基本相同的构象异构体存在，但 2-甲基衍生物主要由具有赤道甲基的构象支配。将取代基参数与先前为甲基化环己烷确定的参数进行比较。对甲基化学位移的类似分析没有成功，部分原因是饱和环的高度柔性。
• Synthesis of 2,3,6,7-Tetramethylnaphthalene from 2,3-Dimethylsuccinic Anhydride and<i>o</i>-Xylene
  作者：Yasuhiko Dozen、Masato Hatta

  DOI：10.1246/bcsj.48.2842

  日期：1975.10

  2,3,6,7-Tetramethylnaphthalene (7b) was prepared from 2,3-dimethylsuccinic anhydride (1) and o-xylene in five steps, and the configurations of their intermediates were studied. The higher-melting isomer (threo form) of 1 gave higher-melting products in each step, while the lower-melting isomer (erythro form) of 1 gave lowermelting ones. The configurations of the intermediates were confirmed by the

  以2,3-二甲基琥珀酸酐(1)和邻二甲苯为原料，分五步制备2,3,6,7-四甲基萘(7b)，并对其中间体的构型进行了研究。1 的高熔点异构体（苏式形式）在每个步骤中产生高熔点产物，而 1 的低熔点异构体（赤型）产生低熔点产物。四甲基四氢化萘 (6b) 的 MNR 光谱数据证实了中间体的构型。用 3-苯甲酰基-2,3-二甲基丙酸 (2a) 进行了类似的反应，以了解中间体的构型。3-芳酰基-2,3-二甲基丙酸(2)在与盐酸一起加热后得到2,3-二甲基-4-芳基-3-丁烯-4-油化物(3)。