2-(methylthio)decane | 92982-47-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(methylthio)decane
• 英文别名: decan-2-yl(methyl)sulfane；2-Methylsulfanyldecane
• CAS: 92982-47-3
• 化学式: C₁₁H₂₄S
• 分子量: 188.378
• InChiKey: LICLOUKOCFUDSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  12
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-癸醇 在 吡啶 、 lithium aluminium tetrahydride 、 正丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.5h， 生成 2-(methylthio)decane
  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

文献信息

• Transition metal-free formal hydro/deuteromethylthiolation of unactivated alkenes
  作者：Shuangyang Chen、Jia Wang、Lan-Gui Xie

  DOI：10.1039/d1ob00413a

  日期：——

  methylthiotransfer process in organisms, and therefore its functionality is of paramount importance to living organisms. Several methods for the installation of the methylthio group in small molecules have been reported previously; however, procedures starting from unactivated alkenes are rare. Herein, we report a formal hydro/deuteromethylthiolation of alkenes by using dimethyl(methylthio)sulfonium trifluoromethanesulfonate

  甲硫醚参与生物体内的甲硫基转移过程，因此其功能对生物体至关重要。先前已经报道了几种在小分子中安装甲硫基的方法。然而，从未活化的烯烃开始的程序很少见。在此，我们报告了烯烃的正式加氢/氘甲基硫醇化，使用二甲基（甲硫基）锍三氟甲磺酸盐作为刺激剂，硼氢化钠/氘化钠作为氢/氘源。该工艺代表了一种温和的、无过渡金属和无甲硫醇的路线，可从未活化的烯烃合成甲基硫醚。
• [EN] ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION<br/>[FR] COMPOSITION DE RÉSINE SENSIBLE AUX RAYONS ACTINIQUES OU AU RAYONNEMENT ET PROCÉDÉ DE FORMATION DE MOTIFS AU MOYEN DE LA COMPOSITION
  申请人：FUJIFILM CORP

  公开号：WO2010035905A1

  公开（公告）日：2010-04-01

  An actinic ray-sensitive or radiation-sensitive resin composition comprising any of the compounds of general formula (I) below; wherein: Ar represents an aromatic ring that may have a substituent other than the -(A-B) groups; n is an integer of 1 or greater; A represents any one, or a combination of two or more members selected from a single bond, an alkylene group, -O-, -S-, -C(=O)-, -S(=O)-, -S(=O)?2- and OS(=O)2-, provided that -C(=O)O- is excluded; B represents a group containing a hydrocarbon group having 4 or more carbon atoms wherein either a tertiary or a quaternary carbon atom is contained, when n is 2 or greater, the two or more -(A-B) groups may be identical to or different from each other; and M+ represents an organic onium ion.

  一种光化学射线敏感性或辐射敏感性树脂组合物，包括下面的通式(I)中的任何一种化合物；其中：Ar代表可能具有除了-(A-B)基团之外的取代基的芳香环；n为大于等于1的整数；A代表从单键、烷基基团、-O-、-S-、-C(=O)-、-S(=O)-、-S(=O)2-和OS(=O)2-中选取的任意一个或两个以上成员的组合，但不包括-C(=O)O-；B代表含有4个或更多碳原子的烃基团的基团，当n大于等于2时，两个或更多个-(A-B)基团可以相同或不同；M+代表有机离子。
• TITANIUM TETRACHLORIDE PROMOTED REDUCTION OF ALKENYL SULFIDES USING TRIETHYLSILANE AS A REDUCING AGENT
  作者：Takeshi Takeda、Toshio Tsuchida、Tooru Fujiwara

  DOI：10.1246/cl.1984.1219

  日期：1984.7.5

  Alkenyl sulfides were reduced to the corresponding alkyl sulfides with triethylsilane in the presence of titanium tetrachloride in good yields. The reduction proceeds via -phenylthioalkyltitanium i...

  在四氯化钛的存在下，烯基硫化物以良好的产率用三乙基硅烷还原成相应的烷基硫化物。通过-苯基硫代烷基钛进行还原...
• ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION
  申请人：TSUCHIMURA Tomotaka

  公开号：US20110171577A1

  公开（公告）日：2011-07-14

  An actinic ray-sensitive or radiation-sensitive resin composition includes any of the compounds of general formula (I) below; wherein: Ar represents an aromatic ring that may have a substituent other than the -(A-B) groups; n is an integer of 1 or greater; A represents any one, or a combination of two or more members selected from a single bond, an alkylene group, —O—, —S—, —C(═O)—, —S(═O)—, —S(═O) 2 — and —OS(═O) 2 —, provided that —C(═O)O— is excluded; B represents a group containing a hydrocarbon group having 4 or more carbon atoms wherein either a tertiary or a quaternary carbon atom is contained, when n is 2 or greater, the two or more -(A-B) groups may be identical to or different from each other; and M + represents an organic onium ion.

  一种感光射线敏感或辐射敏感的树脂组合物包括下列通式（I）中的任何一种化合物；其中：Ar代表可能具有除了-(A-B)基团以外的取代基的芳香环；n是大于等于1的整数；A代表从单键、烷基、—O—、—S—、—C（═O）—、—S（═O）—、—S（═O）2—和—OS（═O）2—中任意选择一个或两个或两个以上成员的组合，但不包括—C（═O）O—；B代表一个含有4个或更多碳原子的烃基团，其中包含一个三级或季级碳原子，当n大于等于2时，两个或两个以上的-(A-B)基团可以相同或不同；M+代表有机阳离子。
• US8900791B2
  申请人：——

  公开号：US8900791B2

  公开（公告）日：2014-12-02