3,5,5-三甲基-己烷-1-硫醇 | 98958-13-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醇
• 中文名称: 3,5,5-三甲基-己烷-1-硫醇
• 英文名称: 3,5,5-Trimethyl-1-mercapto-hexan
• 英文别名: 3,5,5-trimethyl-hexane-1-thiol；3.5.5-Trimethyl-hexylmercaptan；3,5,5-Trimethyl-hexan-1-thiol；3,5,5-Trimethylhexane-1-thiol
• CAS: 98958-13-5
• 化学式: C₉H₂₀S
• 分子量: 160.324
• InChiKey: YZWVPNPGWMPZKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  10
• 可旋转键数：
  4
• 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：

  3,5,5-三甲基-己烷-1-硫醇 在 cobalt(II) oxide 、 aluminum oxide 一氧化碳 作用下， 275.0 ℃ 、101.32 MPa 条件下， 生成 2,2,4-三甲基己烷 、 4,6,6-Trimethyl-thioheptansaeure-(3,5,5-trimethyl-hexylester)
  参考文献：
  名称：

  Notes: Reactions of Carbon Monoxide with Thiols, Sulfides, and Disulfides

  摘要：

  DOI：

  10.1021/jo01082a617
• 作为产物：
  描述：

  3,5,5-三甲基-1-己醇 在 cobalt sulfide 、 air 、 氢气 、 银 、 sulfur 作用下， 生成 3,5,5-三甲基-己烷-1-硫醇
  参考文献：
  名称：

  Bruner, Industrial and Engineering Chemistry, 1949, vol. 41, p. 2861

  摘要：

  DOI：

文献信息

• ALPHA-SUBSTITUTED VINYLTIN COMPOUND
  申请人：Tatsuta Kuniaki

  公开号：US20090023939A1

  公开（公告）日：2009-01-22

  To provide α-substituted vinyltin useful for the search for function-developing substances such as pharmaceuticals/agrichemicals and functional materials and for the construction of a compound library. An α-substituted vinyltin compound represented by the formula (1), a tautomer or salt of the compound or a solvate thereof: R 2 CH═C(R 3 )Sn(R 1 ) 3 (1) wherein R 1 is a C 1-10 alkyl group, a C 2-14 aryl group or the like, R 2 is a C 2-14 aryl group, a C 2-9 heterocyclyl group, a C 3-10 cycloalkyl group or the like, and R 3 is a carbamoyl group, a thiocarbamoyl group, an isocyanate group, an isothiocyanate group, a formylamino group, a thioformylamino group, an isonitrile group, an urea group, a carbamate group or the like.

  提供α-取代的乙烯基锡，用于寻找功能发展物质，如药物/农药和功能材料，以及用于构建化合物库。由下式表示的α-取代的乙烯基锡化合物（1）或其互变异构体或盐或溶剂合物：R2CH═C(R3)Sn(R1)3（1）其中R1是C1-10烷基，C2-14芳基或类似物，R2是C2-14芳基，C2-9杂环基，C3-10环烷基或类似物，R3是氨基甲酰基，硫氨基甲酰基，异氰酸酯基，异硫氰酸酯基，甲酰氨基基，硫代甲酰氨基基，异腈基，脲基，氨基甲酸酯基或类似物。
• OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME
  申请人：SHIOZAKI Hiroyoshi

  公开号：US20090306376A1

  公开（公告）日：2009-12-10

  A compound comprising a ring structure including a ring composed of four carbon atoms and two nitrogen atoms and a substituted or unsubstituted amino group bonded to the ring structure.

  一种化合物，包括一个环结构，其中包括由四个碳原子和两个氮原子组成的环，以及与环结构相结合的取代或未取代的氨基团。
• OPTICALLY ACTIVE DINICKEL COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE USING THE OPTICALLY ACTIVE DINICKEL COMPLEX AS CATALYST
  申请人：Shibasaki Masakatsu

  公开号：US20100298559A1

  公开（公告）日：2010-11-25

  There is provided a novel optically active dinickel complex and/or a production method of an optically active amine by an asymmetric Mannich reaction using the dinickel complex as a catalyst. An optically active dinickel complex of Formula (I) or Formula (I′): [where R 0 , R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and R 7 are each independently a hydrogen atom, a halogen atom, a C 1-10 alkyl group or a C 1-10 alkoxy group, etc., R 2 and R 3 together form, together with a benzene ring bonded to them, a naphthalene ring, etc. A novel production method of an optically active amine by an asymmetric Mannich reaction using the dinickel complex as a catalyst.

  提供了一种新型光学活性二镍配合物和/或使用该二镍配合物作为催化剂进行不对称Mannich反应制备光学活性胺的生产方法。公式（I）或公式（I′）的光学活性二镍配合物：[其中R0、R1、R2、R3、R4、R5、R6和R7分别独立地是氢原子、卤素原子、C1-10烷基或C1-10烷氧基等，R2和R3连同与它们结合的苯环形成萘环等。使用该二镍配合物作为催化剂，通过不对称Mannich反应制备光学活性胺的新型生产方法。
• Metal Thietane Compound, Polymerizable Composition Containing the Compound, Resin and Use of the Resin
  申请人：Murakami Masakazu

  公开号：US20130018169A1

  公开（公告）日：2013-01-17

  Polymerizable compositions containing at least one metal thietane compound represented by general formulas (110), (201) or (120), respectively, wherein said formulas are as follows: and wherein the identified moieties and n, p, q and r are defined.

  含有至少一种由通式（110）、（201）或（120）表示的金属噻吩化合物的聚合物组合物，其中所述的通式如下：其中所识别的基团和n、p、q和r已被定义。
• METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND, RESIN AND USE OF THE RESIN
  申请人：Murakami Masakazu

  公开号：US20100240862A1

  公开（公告）日：2010-09-23

  Disclosed is a metal thietane compound represented by the following general formula (120), (wherein, in the above general formula (120), M is a member selected from the group consisting of Bi, Sb, Ti, Zr and Ta; X 1 and X 2 are each independently a sulfur atom or an oxygen atom; R 1 is a divalent organic group; the bond between M and T shown by a dotted line and a solid line represents a single or double bond; m is an integer of 0 or 1 or more; n is the number of valence of M; and p is an integer of equal to or more than 1 and equal to or less than n, provided that when r is 1, q is 0 and Y is a monovalent inorganic or organic group; when r is 1 and n-p-q is 2 or more, a plurality of Ys contained are each independently selected from monovalent inorganic or organic groups; when r is 1 and n-p-q is 2 or more, a plurality of Ys may be bonded to each other to form a ring containing M; when r is 2, n-p-q is 1 or 2 and Y is a divalent group; when r is 2 and n-p-q is 2, two Ys may form a ring together with two Ms; and when r is 2 and q is 2, a plurality of Ts contained are each independently selected from inorganic or organic groups).

  公开了一种金属硫代环烷化合物，其通式如下（120），其中，在上述通式（120）中，M是从Bi、Sb、Ti、Zr和Ta组成的群体中选择的成员；X1和X2分别是硫原子或氧原子；R1是二价有机基团；M和T之间的键由虚线和实线表示，表示单键或双键；m是0或1或更多的整数；n是M的化合价数；p是大于或等于1且小于或等于n的整数，其中当r为1时，q为0且Y为一价无机或有机基团；当r为1且n-p-q为2或更多时，所含的多个Y各自独立地选择自一价无机或有机基团；当r为1且n-p-q为2或更多时，多个Y可以相互连接形成含M的环；当r为2时，n-p-q为1或2且Y为二价基团；当r为2且n-p-q为2时，两个Y可以与两个M一起形成环；当r为2且q为2时，所含的多个T各自独立地选择自无机或有机基团。