5-甲基-5-壬醇 | 33933-78-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 5-甲基-5-壬醇
• 英文名称: 5-Methyl-5-nonanol
• 英文别名: 5-methylnonan-5-ol
• CAS: 33933-78-7
• 化学式: C₁₀H₂₂O
• mdl: MFCD00021844
• 分子量: 158.284
• InChiKey: AGSIGVZAVLOKLP-UHFFFAOYSA-N

物化性质

• 熔点：
  -1.53°C (estimate)
• 沸点：
  213.4°C (estimate)
• 密度：
  0,82 g/cm3
• 稳定性/保质期：

  如果按照规格正确使用和储存，则不会分解，并且没有已知的危险反应。请避免接触氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  11
• 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：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2905199090
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 储存条件：
  请将贮藏器密封，并将其存放在阴凉、干燥处。同时，确保工作环境具备良好的通风或排气设施。

反应信息

• 作为反应物：
  描述：

  5-甲基-5-壬醇 在 镍 作用下， 250.0 ℃ 、19.61 MPa 条件下， 生成 5-甲基壬烷
  参考文献：
  名称：

  The Chemistry of the Lipids of Tubercle Bacilli. XLIV. Comparative Study of the Lipids of the Human Tubercle Bacillus¹

  摘要：

  DOI：

  10.1021/ja01295a031
• 作为产物：
  描述：

  溴丁基-镁 、 乙酸乙酯 生成 5-甲基-5-壬醇
  参考文献：
  名称：

  Chambret, These ,51

  摘要：

  DOI：

文献信息

• The synthesis of some aromatic crown ether derivatives and their ion-selective electrode properties
  作者：Elżbleta Luboch、Andrzej Cygan、Jan F. lernat

  DOI：10.1016/s0040-4020(01)82027-5

  日期：1990.1

  The synthesis of alkyl, nitro and halogeno derivatives of benzo-15-crown-5, benzo- 18-crown-6 and naphtho-15-crown-5 has been reported. Also some novel ester type bis(crown ether)s have been prepared. Some of the compounds have been characterized as electroactive substances in PVC membrane Ion-selective electrodes.

  已经报道了苯并-15-冠-5，苯并18-冠-6和萘15-冠-5的烷基，硝基和卤代衍生物的合成。还制备了一些新颖的酯型双（冠醚）。在PVC膜离子选择电极中，某些化合物已被表征为电活性物质。
• Process for Production of Alkyl Tin Alkoxide Compound, and Process for Production of Carbonic Acid Ester Using the Compound
  申请人：Shinohata Masaaki

  公开号：US20100292496A1

  公开（公告）日：2010-11-18

  The present invention provides a process for producing: a compound represented by XOR 2 ; a dialkyl tin dialkoxide compound having one tin atom, two Sn—R 1 bonds and two Sn—OR 2 bonds; and/or a tetraalkyl dialkoxy distannoxane compound having one Sn—O—Sn bond, in which each tin atom of the tetraalkyl dialkoxy distannoxane compound has two Sn—R 1 bonds and one Sn—OR 2 bond, the process comprising reacting in the absence of a catalyst at least one alkyl tin compound selected from the group consisting of i) and ii) below: i) a dialkyl tin compound having one tin atom, two Sn—R 1 (wherein R 1 represents an alkyl group) bonds, and two Sn—OX bonds (wherein OX is a group in which HOX that is a conjugate acid of OX is a Bronsted acid having a pKa of from 0 to 6.8); and ii) a tetraalkyl distannoxane compound having one Sn—O—Sn bond, in which each tin atom of the tetraalkyl distannoxane compound has two Sn—R 1 bonds and one Sn—OX bond (wherein OX is a group in which HOX that is a conjugate acid of OX is a Bronsted acid having a pKa of from 0 to 6.8); and a carbonic acid ester represented by R 2 OCOOR 2 (wherein R 2 represents a linear or branched, saturated or unsaturated hydrocarbon group, a hydrocarbon group having a saturated or unsaturated cyclic hydrocarbon substituent, or a Y—CH 2 — group (wherein Y represents an alkyl polyalkylene group, an aromatic group or a cyclic saturated or unsaturated alkylene ether group)), and/or an alcohol represented by R 2 OH (wherein R 2 is the same as defined above).

  本发明提供了一种生产过程：产生一个由XOR表示的化合物；具有一个锡原子、两个Sn—R1键和两个Sn—OR2键的二烷基锡二烷氧化合物；和/或具有一个Sn—O—Sn键的四烷基二烷氧基二锡烷氧化合物，其中四烷基二烷氧基二锡烷氧化合物的每个锡原子具有两个Sn—R1键和一个Sn—OR2键，所述过程包括在缺乏催化剂的情况下反应以下所述组中选择的至少一种烷基锡化合物： i) 具有一个锡原子、两个Sn—R1（其中R1代表烷基基团）键和两个Sn—OX键（其中OX是HOX的共轭酸，HOX是具有从0到6.8的pKa的Bronsted酸的群）的二烷基锡化合物；和 ii) 具有一个Sn—O—Sn键的四烷基二锡烷氧化合物，其中四烷基二锡烷氧化合物的每个锡原子具有两个Sn—R1键和一个Sn—OX键（其中OX是HOX的共轭酸，HOX是具有从0到6.8的pKa的Bronsted酸的群）；和 由R2OCOOR2（其中R2代表线性或支链、饱和或不饱和碳氢基团、具有饱和或不饱和环烃取代基的碳氢基团，或Y—CH2—基团（其中Y代表烷基多聚烯基基团、芳香基团或环状饱和或不饱和烷基醚基团））表示的碳酸酯；和/或 由R2OH（其中R2与上述定义相同）表示的醇。
• Nucleophilic cleavage of acetals using organometallic reagents
  作者：Atsunori Mori、Junya Fujiwara、Keiji Maruoka、Hisashi Yamamoto

  DOI：10.1016/0022-328x(85)87359-9

  日期：1985.4

  A highly chemo- and stereo-selective cleavage of acetals derived from (−)(2R,4R)-2,4-pentanediol with organoaluminum and organotitanium reagents has been demonstrated. The reactions proceed under mild conditions with excellent yields and high chemoselectivities to give, after removal of the auxiliary, chiral alcohols of high enantiomeric purities.

  已经证明了用有机铝和有机钛试剂对源自（-）（2 R，4 R）-2,4-戊二醇的缩醛的高度化学和立体选择性裂解。反应在温和条件下以优异的收率和高化学选择性进行，在除去助剂后，得到高对映体纯度的手性醇。
• A simple and efficient copper oxide-catalyzed Barbier–Grignard reaction of unactivated aryl or alkyl bromides with ester
  作者：Fei Gao、Xiang-Jun Deng、Yu Tang、Jin-Peng Tang、Jun Yang、Yuan-Ming Zhang

  DOI：10.1016/j.tetlet.2013.12.042

  日期：2014.1

  An efficient one-pot route to synthesize tertiary alcohol compounds using Barbier–Grignard reaction of unactivated alkyl or aryl bromides with ester in THF at 65 °C catalyzed by CuO has been developed and systematically investigated. A wide range of substituted tertiary alcohol compounds were obtained in good to high yields. The reaction is highly chemoselective. The mechanism involving the leaving

  已经开发并系统地研究了一种有效的一锅法，该方法通过使用未活化的烷基或芳基溴化物与酯在65°C的THF中的酯进行Barbier-Grignard反应，来合成叔醇化合物。以良好或高收率获得了各种各样的取代叔醇化合物。该反应是高度化学选择性的。涉及R的离去基团的机构2 ö -基团进行了讨论。
• Nucleophilic cleavages of acetals using organotitanium reagents. A new synthesis of chiral alcohols
  作者：Atsunori Mori、Keiji Maruoka、Hisashi Yamamoto

  DOI：10.1016/s0040-4039(01)81455-6

  日期：1984.1

  A highly chemo- and stereoselective cleavage of acetals derived from (−)-(2R,4R)-2,4-pentanediol with organotitanium reagents has been demonstrated. The reaction proceeds under mild conditions in excellent yield and high chemoselectivity to give, after removal of auxiliary, the chiral alcohols of high enantiopurities. In addition, complexation of chiral acetals and TiCl4 followed by treatment with

  已经证明了用有机钛试剂对源自（-）-（2R，4R）-2,4-戊二醇的缩醛的高度化学和立体选择性裂解。反应在温和的条件下以优异的产率和高的化学选择性进行，在除去助剂后得到高对映体纯度的手性醇。另外，手性乙缩醛和TiCl 4的络合，然后用正丁基锂处理也导致形成具有高立体选择性的相应的丁基化醇。

表征谱图