2,6-dimethyl-3,5-dithiaheptane | 18068-25-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代缩醛
• 英文名称: 2,6-dimethyl-3,5-dithiaheptane
• 英文别名: Formaldehyde diisopropyl dithioacetal；bis(isopropylthio)methane；bis-isopropylsulfanyl-methane；2-(propan-2-ylsulfanylmethylsulfanyl)propane
• CAS: 18068-25-2
• 化学式: C₇H₁₆S₂
• 分子量: 164.336
• InChiKey: HMAOEBFDZJFBII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  9
• 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：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,6-dimethyl-3,5-dithiaheptane 在 sodium perchlorate 作用下， 以 乙醚 、 乙腈 为溶剂， 以51%的产率得到异丙基二硫醚
  参考文献：
  名称：

  Porter, Quentin N.; Utley, James H. P.; Machion, Pedro D., Journal of the Chemical Society. Perkin transactions I, 1984, # 5, p. 973 - 979

  摘要：

  DOI：
• 作为产物：
  描述：

  二氯甲烷 、 异丙硫醇 在 sodium hydroxide 、 adogen 464 作用下， 以 水 为溶剂， 反应 72.0h， 以60%的产率得到2,6-dimethyl-3,5-dithiaheptane
  参考文献：
  名称：

  二硫醚配体的五羰基铬（0）和钨（0）配合物的静态和动态结构：I. [W（CO）5（t BuSCH 2 S t Bu）]的对称二硫醚配合物和X射线晶体结构

  摘要：

  配合物[M（CO）5（RSCH 2 SR）]（M铬，R的Et，我PR，吨卜; MW，RME等，我PR，吨卜）的合成。总带状NMR分析用于测量钨配合物中配位的S原子的转化能量。Δ ģ ‡（298.15 K）值在范围34-42千焦耳摩尔-1。获得了[W（CO）5（t BuSCH 2 S t Bu）]的X射线结构。

  DOI：

  10.1016/0022-328x(92)83443-l

文献信息

• Sulfoxide derivative and process for its preparation
  申请人：Sagami Chemical Research Center

  公开号：US04029712A1

  公开（公告）日：1977-06-14

  A novel sulfoxide derivative of the general formula ##STR1## wherein R.sup.1 and R.sup.3 are the same or different, and each represents and alkyl group having 1 to 4 carbon atoms, a phenyl group or a halo- or methyl-substituted phenyl group, R.sup.2 is a hydrogen atom, a lower alkyl group, benzyl group, or a p-methoxy- or p-bromo-benzyl group, R.sup.1 and R.sup.2, together, may form an alkylene group containing 3 carbon atoms, and X is an oxygen or sulfur atom, and to a process for its preparation.

  通式为##STR1##的一种新型亚砜衍生物，其中R.sup.1和R.sup.3相同或不同，分别代表具有1至4个碳原子的烷基基团、苯基或卤代苯基或甲基取代的苯基，R.sup.2是氢原子、较低的烷基基团、苄基或对甲氧基或对溴基苄基，R.sup.1和R.sup.2一起可以形成含有3个碳原子的烷基基团，X是氧原子或硫原子，以及其制备方法。
• CONVENIENTLY PREPARED NAPHTHALENE AND PERYLENE DERIVATIVES AS BUILDING BLOCKS FOR ORGANIC ELECTRONIC MATERIALS AND DYESTUFF
  申请人：BASF SE

  公开号：US20150225418A1

  公开（公告）日：2015-08-13

  The present invention provides the compounds of formulae (3) and (1), wherein n is 0 or 1, R 11 and R 12 are the same and are selected from the group consisting of CN, OR 300 , Si(R 301 ) 3 , NHR 302 , NR 303 R 304 , SR 305 and R 306 , or R 11 and R 12 together are selected from the group consisting of (a), (b), and (c) and X is Cl, Br or I, and a process for the preparation of compounds of formula (3) comprising the compounds of formula (1) as key intermediates.

  本发明提供了式（3）和（1）的化合物，其中n为0或1，R11和R12相同，选自CN、OR300、Si（R301）3、NHR302、NR303R304、SR305和R306的组成，或者R11和R12一起选自（a）、（b）和（c），X为Cl、Br或I，以及一种制备式（3）化合物的方法，包括将式（1）化合物作为关键中间体。
• DOUBLE DONOR FUNCTIONALISATION OF THE PERI-POSITIONS OF PERYLENE AND NAPHTHALENE MONOIMIDE VIA VERSATILE BUILDING BLOCKS
  申请人：BASF SE

  公开号：US20150225413A1

  公开（公告）日：2015-08-13

  The present invention provides the compounds of formulae (3) and (1) wherein n is 0 or 1, R 13 and R 14 are the same or different and are selected from the group consisting of NHR 310 , NR 311 R 312 , OR 313 , SR 314 and R 315 , or R 13 and R 14 together are selected from the group consisting of (a), (b) and (c), and X is CI, Br of I, and a process for the preparation of compounds of formula (3) comprising the compounds of formula (1) as key intermediates.

  本发明提供了式（3）和式（1）的化合物，其中n为0或1，R13和R14相同或不同，选自由NHR310，NR311R312，OR313，SR314和R315组成的群体，或者R13和R14一起选自由（a），（b）和（c）组成的群体，X为CI，Br或I。同时提供了一种制备式（3）化合物的方法，其中包括将式（1）化合物作为关键中间体。
• A two-phase reaction catalyzed by a protein — asymmetric oxidation of formaldehyde dithioacetals with aqueous sodium metaperiodate
  作者：Katsuyuki Ogura、Makoto Fujita、Hirotada Iida

  DOI：10.1016/0040-4039(80)80011-6

  日期：1980.1

  We examined whether a protein could catalyze two-phase oxidation of formaldehyde dithioacetals with aqueous sodium metaperiodate and bovine serum albumin was found to be effective and give the corresponding S-oxides in optically active forms.

  我们检查了一种蛋白质是否可以用偏高碘酸钠水溶液催化甲醛二硫缩醛的两相氧化，并且发现牛血清白蛋白是有效的，并以旋光形式提供了相应的S-氧化物。
• Investigation of Diastereoselective Acyclic α-Alkoxydithioacetal Substitutions Involving Thiacarbenium Intermediates
  作者：Michel Prévost、Starr Dostie、Marie-Ève Waltz、Yvan Guindon

  DOI：10.1021/jo502181a

  日期：2014.11.7

  Reported herein is an experimental and theoretical study that elucidates why silylated nucleobase additions to acyclic alpha-alkoxythiacarbenium intermediates proceed with high 1,2-syn stereocontrol (anti-Felkin-Anh), which is opposite to what would be expected with corresponding activated aldehydes. The acyclic thioaminals formed undergo intramolecular cyclizations to provide nucleoside analogues with anticancer and antiviral properties. The factors influencing the selectivity of the substitution reaction have been examined thoroughly. Halothioether species initially form, ionize in the presence (low dielectric media) or absence (higher dielectric media) of the nucleophile, and react through S(N)2-like transition structures (TS A and D), where the a-alkoxy group is gauche to the thioether moiety. An important, and perhaps counterintuitive, observation in this work was that calculations done in the gas phase or low dielectric media (toluene) are essential to locate the product- and rate-determining transition structures (C-N bond formation) that allow the most reasonable prediction of selectivity and isotope effects for more polar solvents (THF, MeCN). The triangle triangle G +/- (G(TSA)-(TSD)) obtained in silico are consistent with the preferential formation of 1,2-syn product and with the trends of stereocontrol displayed by 2,3-anti and 2,3-syn alpha,beta-bis-alkoxydithioacetals.