2-methylnonane-2-thiol | 30174-58-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醇
• 英文名称: 2-methylnonane-2-thiol
• 英文别名: tert-Decanethiol
• CAS: 30174-58-4
• 化学式: C₁₀H₂₂S
• 分子量: 174.351
• InChiKey: CXAQLKBZAORQNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 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：
  1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-methylnonane-2-thiol 在 sodium perborate tetrahydrate 、 potassium carbonate 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 2-(allylsulfonyl)-2-methylnonane
  参考文献：
  名称：

  烷基烯丙基砜的面向多样性的脱磺酰基官能化

  摘要：

  通过自由基化学，已开发了具有多种砜类试剂的烷基烯丙基砜的多样性导向型脱磺酰基官能化方法。易于安装的烯丙基磺酰基部分充当C自由基的前体，使用硫基自由基捕获剂将其替换为各种官能团。这种方法的普遍性已由成功的脱磺酰基化炔基化，叠氮化，三氟甲硫基化，亚磺酰基化，三氟甲基硒基化，卤化和氘化证明。该方法与多种官能团兼容。考虑到氘，以高收率掺入氘以高收率获得产物。

  DOI：

  10.1002/anie.201903668
• 作为产物：
  描述：

  2-壬酮 在 lithium aluminium tetrahydride 、 氢溴酸 、 zinc sulfide 、 lithium bromide 作用下， 以 乙醚 、 二氯甲烷 、 水 为溶剂， 反应 16.0h， 生成 2-methylnonane-2-thiol
  参考文献：
  名称：

  Structure–Odor Correlations in Homologous Series of Alkanethiols and Attempts To Predict Odor Thresholds by 3D-QSAR Studies

  摘要：

  Homologous series of alkane-1-thiols, alkane-2-thiols, alkane-3-thiols, 2-methylalkane-1-thiols, 2-methylalkane-3-thiols, 2-methylalkane-2-thiols, and alkane-1,?-dithiols were synthesized to study the influence of structural changes on odor qualities and odor thresholds. In particular, the odor thresholds were strongly influenced by steric effects: In all homologous series a minimum was observed for thiols with five to seven carbon atoms, whereas increasing the chain length led to an exponential increase in the odor threshold. Tertiary alkanethiols revealed clearly lower odor thresholds than found for primary or secondary thiols, whereas neither a second mercapto group in the molecule nor an additional methyl substitution lowered the threshold. To investigate the impact of the SH group, odor thresholds and odor qualities of thiols were compared to those of the corresponding alcohols and (methylthio)alkanes. Replacement of the SH group by an OH group as well as S-methylation of the thiols significantly increased the odor thresholds. By using comparative molecular field analysis, a 3D quantitative structureactivity relationship model was created, which was able to simulate the odor thresholds of alkanethiols in good agreement with the experimental results. NMR and mass spectrometric data for 46 sulfur-containing compounds are additionally supplied.

  DOI：

  10.1021/jf506135c
• 作为试剂：
  描述：

  1-溴辛烷 在 2-methylnonane-2-thiol 三乙基硅烷 、 反式-二叔丁基连二次硝酸酯 作用下， 以 正己烷 为溶剂， 反应 1.0h， 以99%的产率得到正辛烷
  参考文献：
  名称：

  Cole, Stephen J.; Kirwan, J. Nicholas; Roberts, Brian P., Journal of the Chemical Society. Perkin transactions I, 1991, # 1, p. 103 - 112

  摘要：

  DOI：

文献信息

• QUENCHER
  申请人：Wako Pure Chemical Industries, Ltd.

  公开号：US20170342031A1

  公开（公告）日：2017-11-30

  A quencher is disclosed having a compound represented by the following general formula (1): wherein R 5 each independently represent a halogen atom, an alkyl group, an alkoxy group, an alkylthio group, an amino group having a substituent or not having a substituent, a hydroxy group, an aryl group, an aryloxy group, or an arylalkyl group; R 6 represents a group having a polymerizable unsaturated group, a hydroxy group, or the like; Y 1 represents an oxygen atom, or the like; An − represents an anion; Ar 1 represents a specific ring structure; * and ** represent binding positions; Ar 2 represents a benzene ring, a naphthalene ring, or an anthracene ring; n 1 represents a specific integer; and the following structure (1-10) in the general formula (1) is an asymmetric structure; (wherein R 5 , Y 1 , Ar 1 , Ar 2 , n 1 , * and ** are the same as described above.).

  一种淬灭剂被公开，该淬灭剂具有以下一般公式(1)表示的化合物： 其中R5各自独立代表一个卤素原子、一个烷基团、一个烷氧基团、一个烷硫基团、一个带有或不带有取代基的氨基团、一个羟基、一个芳基团、一个芳氧基团或一个芳烷基团；R6代表一个具有可聚合不饱和基团、一个羟基或类似基团的集团；Y1代表一个氧原子或类似；An代表一个阴离子；Ar1代表一个特定的环结构；*和**代表结合位置；Ar2代表一个苯环、一个萘环或一个蒽环；n1代表一个特定的整数； 并且一般公式(1)中的以下结构(1-10)是一个不对称结构； (其中R5、Y1、Ar1、Ar2、n1、*和**与上述描述相同)。
• PROCESS FOR PRODUCING ESTER COMPOUND
  申请人：Imazeki Shigeaki

  公开号：US20100324314A1

  公开（公告）日：2010-12-23

  PROBLEM To provide an environmentally-friendly method for producing industrially an ester compound. SOLUTION The present invention is a method for producing an ester compound which comprises subjecting a carboxylic acid and an alcohol to dehydration-condensation reaction using an involatile acid catalyst and then removing the residual acid catalyst by bringing a weak basic substance into contact with the residual acid catalyst.

  问题提供一种生产工业酯化合物的环保方法。 解决方案是一种生产酯化合物的方法，包括将羧酸和醇经过脱水缩合反应，使用一种不挥发的酸催化剂，然后通过将弱碱性物质与残留的酸催化剂接触来去除残留的酸催化剂。
• PROCESS FOR THE PREPARATION OF OPIOID COMPOUNDS
  申请人：NORAMCO, INC.

  公开号：US20150315204A1

  公开（公告）日：2015-11-05

  The present invention is directed to a process for the preparation of opioid compounds such as buprenorphine, naltrexone, naloxone, nalbuphone, nalbuphine, and the like.

  本发明涉及一种制备阿片类化合物（如布洛芬、纳曲酮、纳洛酮、纳布酮、纳布啶等）的方法。
• SILICON-CONTAINING HETEROCYCLIC COMPOUND, AND QUENCHER
  申请人：FUJIFILM Wako Pure Chemical Corporation

  公开号：US20190233651A1

  公开（公告）日：2019-08-01

  Quenchers of the related art do not have a quenching ability high enough to sufficiently inhibit the emission of fluorescence from fluorescence compounds. Therefore, the present invention aims to provide a quencher which can sufficiently quench the fluorescence from fluorescent compounds including xanthene-based dyes. The present invention relates to a quencher formed of a compound represented by the following general formula (1), and the like. (In the formula, n 1 pieces of R 5 each independently represent a group having a polymerizable unsaturated group, an amino group having a substituent, or the like, R 6 represents a group having a polymerizable unsaturated group, a hydroxy group, or the like, An − represents an anion, Ar 1 represents a specific ring structure, * and ** each represent a position of bonding to the specific ring structure, Ar 2 represents a benzene ring or the like, in a case where Ar 2 is the benzene ring, n 1 represents an integer of 0 to 4, and R 32 and R 33 each independently represent an alkyl group or an aryl group.)

  相关艺术中的淬火剂没有足够高的淬火能力，以充分抑制荧光化合物的荧光发射。因此，本发明旨在提供一种可以充分淬火包括黄酮基染料在内的荧光化合物的荧光的淬火剂。本发明涉及由以下一般式（1）所代表的化合物形成的淬火剂等。（在该式中，n1个R5分别独立地表示具有聚合不饱和基团、具有取代基的氨基团等的基团，R6表示具有聚合不饱和基团、羟基等的基团，An−表示一个阴离子，Ar1表示特定的环结构，*和**分别表示与特定环结构结合的位置，Ar2表示苯环或类似物，在Ar2为苯环的情况下，n1表示0到4的整数，R32和R33分别独立地表示烷基或芳基。）
• AQUEOUS DISPERSION OF COLORED PARTICLES
  申请人：MITSUBISHI PENCIL COMPANY, LIMITED

  公开号：US20210071006A1

  公开（公告）日：2021-03-11

  Provided is an aqueous dispersion of colored particles suitable for colorants for writing instrument inks, inkjet inks, painting materials, aqueous coatings, and the like. The aqueous dispersion of colored particles includes a polymer having at least a unit of a monomer derived from a dye having a polymerizable unsaturated group. The monomer derived from the dye is preferably derived from the compound represented by General Formula (1) below: where Dye represents a dye residue, R 1 represents a hydrogen atom or a methyl group, Y 2 represents —O— or —NR 10 —, where R 10 represents a hydrogen atom or an alkyl group, A 1 represents an alkylene group which is unsubstituted or substituted by at least one group selected from —OCO—, —COO—, —NHCONH—, and the like in the chain thereof and/or at the terminal thereof, and/or a hydroxy group.

  提供一种适用于书写工具墨水、喷墨墨水、绘画材料、水性涂料等颜色颜料的水性彩色颗粒分散液。彩色颗粒的水性分散液包括至少具有源自具有可聚合不饱和基团的染料的单体的聚合物。源自染料的单体最好源自下面的一般式（1）所表示的化合物：其中Dye代表染料残基，R1代表氢原子或甲基基团，Y2代表—O—或—NR10—，其中R10代表氢原子或烷基基团，A1代表未经取代或通过至少选择自—OCO—、—COO—、—NHCONH—等群之一取代的烷基基团以及/或在链中和/或末端具有一个羟基的亚烷基基团。