氯甲基杂氮硅三烷 | 42003-39-4

• 物质功能分类: 化学试剂 - 硅烷试剂
• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 中文名称: 氯甲基杂氮硅三烷
• 英文名称: 1-(chloromethyl)silatrane
• 英文别名: 1-chloromethylsilatrane；chloromethylsilatrane；1-chloromethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane；(TB-5-23)-(2,2',2''-azanetriyl-tris-ethanolato(3-)-N,O,O',O'')-chloromethyl-silicon；1-(chloromethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane；5-chloromethyl-silitrane
• CAS: 42003-39-4
• 化学式: C₇H₁₄ClNO₃Si
• mdl: MFCD00053377
• 分子量: 223.732
• InChiKey: METVSRFIOHSNJX-UHFFFAOYSA-N

物化性质

• 熔点：
  221 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.27
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  30.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• TSCA：
  Yes
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  氯甲基杂氮硅三烷 在 sodium iodide 作用下， 以 N,N-二甲基甲酰胺 、 正丁醇 为溶剂， 反应 14.5h， 生成 氢碘酸三乙醇胺
  参考文献：
  名称：

  S-(Trimethoxysilylmethyl)- and S-(Silatranylmethyl)isothiuronium Halides and Their N-Substituted Derivatives

  摘要：

  Previously unknown S-(trimethoxysilylmethyl)- and S-(silatranylmethyl)isothiuronium halides and their N-substituted derivatives were prepared. According to the IR and UV spectra, these compounds exist in the solid state and in methanol and acetonitrile solutions in the form of two equilibrium salt structures: those with the positively charged nitrogen and carbon atoms, or predominantly in one of these. In solutions of the iodides in highly polar acetonitrile, the first salt structure can occur in an equilibrium with its dissociation products, S-organylisothiourea (or its N-substituted derivative) and hydrogen iodide.

  DOI：

  10.1023/b:rugc.0000031856.58701.2c
• 作为产物：
  描述：

  三乙醇胺 、 以 乙醚 为溶剂， 反应 2.0h， 以70.1%的产率得到氯甲基杂氮硅三烷
  参考文献：
  名称：

  Orlov, G. I.; D'yakov, V. M.; Tandura, T. A., Journal of general chemistry of the USSR, 1986, vol. 56, # 11, p. 2349 - 2350

  摘要：

  DOI：

文献信息

• 1,1-Dimethyl-1-(trialkoxysilylmethyl)hydrazinium and 1,1-Dimethyl-1-(silatranylmethyl)hydrazinium Halides
  作者：M. S. Sorokin、M. G. Voronkov

  DOI：10.1007/s11176-005-0335-6

  日期：2005.6

  Formerly unknown 1,1-dimethyl-1-(trialkoxysilylmethyl)- and 1,1-dimethyl-1-(silatranylmethyl)hydrazinium halides were prepared by reaction of 1,1-dimethylhydrazine with (halomethyl)trialkoxysilanes XCH2Si(OR)3 (X = Cl, I; R=Me, Et) and 1-(halomethyl)silatranes XCH2Si(OCH2CH2)3N (X = Cl, Br). 1,1-Dimethyl-1-(silatranylmethyl)hydrazinium chloride and iodide were also obtained by transetherification of corresponding 1,1-dimethyl-1-(trimethoxysilylmethyl)hydrazinium halides with tris(2-hydroxyethyl)amine.

  以前未知的1,1-二甲基-1-(三烷氧基硅基甲基)-和1,1-二甲基-1-(硅烷氨基甲基)肼铵卤化物通过1,1-二甲基肼与(卤甲基)三烷氧基硅烷XCH2Si(OR)3（X = Cl, I; R = Me, Et）和1-(卤甲基)硅烷氨基XCH2Si(OCH2CH2)3N（X = Cl, Br）反应制得。此外，1,1-二甲基-1-(硅烷氨基甲基)肼铵氯化物和碘化物也通过对应的1,1-二甲基-1-(三甲氧基硅基甲基)肼铵卤化物与三(2-羟乙基)胺进行转醚化反应获得。
• Process for the production of 1-organylsilatranes and carbofunctional
  申请人：——

  公开号：US04048206A1

  公开（公告）日：1977-09-13

  A process for the production of 1-organylsilatranes and their carbofunctional derivatives of the general formula X -- Z -- Si(OR).sub.3 N, where R = --CH.sub.2 --CH.sub.2 -- or --CH(CH.sub.3)CH.sub.2.sub.- ; Z is a bivalent hydrocarbon radical; X = H, alkyl, aryl, F, Cl, Br, I, CF.sub.3, CN, NH.sub.2, SH, CNS, R.sup.1 M, (R.sup.2 O).sub.2 P(O), R.sup.3 C(O)M, where R.sup.1 is alkyl, aryl, aralkyl or alkaryl; M = O or S; R.sup.2 is alkyl; and R.sup.3 is alkyl, aryl, R.sub.F (a fluorocarbon chain containing from 1 to 10 carbon atoms) or A-C.sub.6 H.sub.4 OCH.sub.2, where A is halogen, an alkyl group or an alkoxy group which comprises reacting triethanolamine or its derivatives of the general formula N(ROH).sub.3, where R = --CH.sub.2.sup..sup.-CH 2-- or --CH(CH.sub.3)CH.sub.2 --, with 1-organyltrialkoxysilanes of the general formula X -- Z -- Si(OR.sup.4).sub.3, where R.sup.4 is alkyl; X = H, alkyl, aryl, I, Br, Cl, F, CF.sub.3, CN, NH.sub.2, SH, CNS, R.sup.1 M, (R.sup.2 O).sub.2 P(O) or R.sup.3 C(O)M, where R.sup.1 is alkyl, aryl, aralkyl or alkaryl; M = O or S; R.sup.2 is alkyl; and R.sup.3 is alkyl, aryl, R.sub.F (a fluorocarbon chain containing from 1 to 10 carbon atoms) or A-C.sub.6 H.sub.4 OCH.sub.2, where A is halogen, an alkyl group or an alkoxy group, in the presence of a low-boiling polar organic solvent or a low-boiling polar organic solvent combined with an alkali catalyst, and subsequently recovering the desired product, and, the triethanolamine or its derivatives are initially admixed with said solvent, after which the 1-organyltrialkoxysilane is added to the reaction mixture.

  一种制备1-有机硅杂环烷及其羧基官能团衍生物的方法，其通式为X--Z--Si（OR）3N，其中R = --CH2--CH2--或--CH（CH3）CH2-；Z是双价碳氢基团；X = H，烷基，芳基，F，Cl，Br，I，CF3，CN，NH2，SH，CNS，R1M，（R2O）2P（O），R3C（O）M，其中R1是烷基，芳基，芳烷基或烷芳基；M = O或S；R2是烷基；而R3是烷基，芳基，Rf（含1至10个碳原子的氟碳链）或A-C6H4OCH2，其中A是卤素，烷基或烷氧基，其方法包括在低沸极性有机溶剂或低沸极性有机溶剂与碱催化剂的组合物中，将三乙醇胺或其通式为N（ROH）3的衍生物与通式为X--Z--Si（OR4）3的1-有机三烷氧基硅烷反应，其中R4是烷基；X = H，烷基，芳基，I，Br，Cl，F，CF3，CN，NH2，SH，CNS，R1M，（R2O）2P（O）或R3C（O）M，其中R1是烷基，芳基，芳烷基或烷芳基；M = O或S；R2是烷基；而R3是烷基，芳基，Rf（含1至10个碳原子的氟碳链）或A-C6H4OCH2，随后回收所需的产品，而三乙醇胺或其衍生物最初与所述溶剂混合，之后将1-有机三烷氧基硅烷加入反应混合物中。
• Silatranes from reactions of chloromethylsilatrane with chlorosilanes and magnesium in tetrahydrofuran
  作者：Vladimir Gevorgyan、Larisa Borisova、Edmunds Lukevics

  DOI：10.1016/0022-328x(91)86373-x

  日期：1991.10

  Some silatranylmethylsilanes have been obtained by reaction of chloromethylsilatrane with chloro- silanes and magnesium in THF (i.e. under Barbier conditions).

  通过使氯甲基硅杂环丁烷与氯硅烷和镁在THF中反应（即在Barbier条件下），已经获得了一些硅烷基甲基硅烷。
• Direct transfer of aliphatic and aromatic substituents from organosilatranes to mercury(II) species
  作者：J.Dirk Nies、Jon M. Bellama、Nava Ben-Zvi

  DOI：10.1016/0022-328x(85)80362-4

  日期：1985.12
• Voronkov, M. G.; Sorokin, M. S., Journal of general chemistry of the USSR, 1989, vol. 59, # 31, p. 522 - 524
  作者：Voronkov, M. G.、Sorokin, M. S.

  DOI：——

  日期：——