4-甲基-1-己炔 | 52713-81-2

• 分子结构分类: 有机化合物 - 乙炔化物
• 中文名称: 4-甲基-1-己炔
• 英文名称: 4-methyl-1-hexyne
• 英文别名: 4-methyl-hex-1-yne；4-methylhex-1-yne
• CAS: 52713-81-2
• 化学式: C₇H₁₂
• mdl: MFCD00048660
• 分子量: 96.1723
• InChiKey: YFZSGTDENCTWGW-UHFFFAOYSA-N

物化性质

• 熔点：
  -88.73°C (estimate)
• 沸点：
  91°C
• 密度：
  0.7282
• 保留指数：
  659

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2901299090

反应信息

• 作为反应物：
  描述：

  4-甲基-1-己炔 在 ((Me3SiC5H4)2Lu(μ-Me))2 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 环己烷 为溶剂， 反应 4.75h， 生成 (Z)-1-(dimethylsilyl)-4-methyl-1-(phenylsilyl)-1-hexene
  参考文献：
  名称：

  Hydrosilylation of alkynylsilanes utilizing organolanthanide and Group 3 metallocene complexes

  摘要：

  The organolanthanide- and Group 3 metallocene-catalyzed hydrosilylation of alkynylsilanes has been found to provide (Z)-1,1-bis(silyl)alkenes. In particular, Cp-2*YMeTHF (1), [(Cp2YMe)-Y-TMS](2) (2), and [(Cp2LuMe)-Lu-TMS](2) (3) were shown to be regioselective for the hydrosilylation of various alkynylsilanes (Fig. 1). The process was evaluated for diverse substitution patterns and functional groups on the pendant alkyl chain. Silyl ethers and halogens are stable to the catalytic process, affording excellent chemo- and regioselectivities. Competition between 'aryl-directed' and 'silyl-directed' processes was observed upon hydrosilylation of (phenylethynyl)dimethylsilane. (C) 2002 Published by Elsevier Science B.V.

  DOI：

  10.1016/s0022-328x(01)01483-8
• 作为产物：
  描述：

  tris(4-methylhex-1-ynyl)alumane 生成 4-甲基-1-己炔
  参考文献：
  名称：

  CAPORUSSO A. M.; GIACOMELLI G.; LARDICCI L., J. ORG. CHEM., 1979, 44, NO 9, 1495-1501

  摘要：

  DOI：

文献信息

• Addition aux triples liaisons des organozincinques issus de bromures α-acetyleniques: Synthese de β-enynes et de β-benoyls
  作者：Moncef Bellassoued、Yves Frangin、Marcel Gaudemar

  DOI：10.1016/s0022-328x(00)91413-x

  日期：1979.2

  Organozinc compounds issued from disubstituted α-acetylenic bromides are added at the triple bond of monosubstituted alkynes and α- or β-acetylenic alcohols. This reaction leads to the corresponding β-enyne and β-enynol derivatives.

  由二取代的α-炔属溴化物发出的有机锌化合物被添加到单取代的炔烃和α-或β-炔属醇的三键上。该反应产生相应的β-烯炔和β-烯醇衍生物。
• Frangin,Y.; Gaudemar,M., Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1974, vol. 278, p. 885 - 887
  作者：Frangin,Y.、Gaudemar,M.

  DOI：——

  日期：——
• Metal catalysis in organic reactions. X. Nickel-catalyzed dimerization of 1-alkynes to 1,3-dialkylbutenynes
  作者：G. Giacomelli、F. Marcacci、A.M. Caporusso、L. Lardicci

  DOI：10.1016/s0040-4039(01)95366-3

  日期：1979.1
• (η6-Cyclohepta-1,3,5-triene)(η4-cycloocta-1,5-diene)iron(0) complex as attractive precursor in catalysis
  作者：Chiara Breschi、Loris Piparo、Paolo Pertici、Anna Maria Caporusso、Giovanni Vitulli

  DOI：10.1016/s0022-328x(00)00211-4

  日期：2000.8

  The catalytic activity of the complex Fe(eta(6)-CHT)(eta(4)-COD), (CHT = 1,3,5-cycloheptatriene; COD = 1,5-cyclooctadiene), 1, has been evaluated in some reference reactions such as the hydroformylation of 1-hexene and styrene and the cyclotrimerisation of a wide range of terminal and internal acetylenes. The title complex has been found to be a convenient catalytic precursor and it resulted more active than other iron catalysts in the investigated reactions. (C) 2000 Elsevier Science S.A. All rights reserved.
• Frangin,Y.; Gaudemar,M., Bulletin de la Societe Chimique de France, 1976, # 7-8, p. 1173 - 1177
  作者：Frangin,Y.、Gaudemar,M.

  DOI：——

  日期：——