异硫氰基硅烷 | 14311-54-7

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 中文名称: 异硫氰基硅烷
• 英文名称: isothiocyanatosilane
• 英文别名: Silylisothiocyanat；Silyl isothiocyanate
• CAS: 14311-54-7
• 化学式: CH₃NSSi
• 分子量: 89.193
• InChiKey: WDQDMOPZMLEJKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.63
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  44.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  异硫氰基硅烷 生成 alkaline earth salt of/the/ methylsulfuric acid 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  甲硅烷的拟卤素衍生物

  摘要：

  甲硅烷基异-氰化物，的SiH 3 NC，和甲硅烷基异硫氰酸，的SiH 3 NCS，已经制备和表征通过一些它们的物理性质的测量。还研究了这些化合物的某些化学性质。制备异氰酸甲硅烷基酯SiH 3 NCO的尝试未成功。几个甲硅烷基的根本红外吸收带的异-氰化物和异硫氰酸已经测量。

  DOI：

  10.1016/0022-1902(56)80003-1
• 作为产物：
  描述：

  silver thiocyanate 在 碘硅烷 作用下， 生成 异硫氰基硅烷
  参考文献：
  名称：

  甲硅烷的拟卤素衍生物

  摘要：

  甲硅烷基异-氰化物，的SiH 3 NC，和甲硅烷基异硫氰酸，的SiH 3 NCS，已经制备和表征通过一些它们的物理性质的测量。还研究了这些化合物的某些化学性质。制备异氰酸甲硅烷基酯SiH 3 NCO的尝试未成功。几个甲硅烷基的根本红外吸收带的异-氰化物和异硫氰酸已经测量。

  DOI：

  10.1016/0022-1902(56)80003-1

文献信息

• Silyl isothiocyanates
  申请人：John Wyeth & Brother Ltd.

  公开号：US04593111A1

  公开（公告）日：1986-06-03

  The invention concerns novel compounds of formula IIIA R.sub.x.sup.a Si(NCS).sub.4-x IIIA wherein R.sup.a is selected from electron donating substituents consisting of alkoxy of 1-10 carbon atoms, cycloalkoxy of 4-8 carbon atoms, aralkoxy of 7-12 carbon atoms, phenoxy which may be substituted by alkyl of 1-10 carbon atoms, alkoxy of 1-10 carbon atoms or trifluoromethyl, the group R.sup.b R.sup.c N-wherein R.sup.b and R.sup.c are selected from alkyl of 1-6 carbon atoms, cycloalkyl of 4-6 carbon atoms, phenyl which may be substituted by alkyl of 1-10 carbon atoms, alkoxy of 1-10 carbon atoms or trifluoromethyl, and aralkyl of 7-12 carbon atoms or R.sup.b and R.sup.c may be joined to form a pyrrolidinyl or piperidinyl ring with the nitrogen atom, which ring may be substituted by alkyl of 1-10 carbon atoms; alkylthio of 1-10 carbon atoms, cycloalkylthio of 4-8 carbon atoms, aralkylthio of 7-12 carbon atoms, phenylthio which may be substituted by alkyl of 1-10 carbon atoms, alkoxy of 1-10 carbon atoms, or trifluoromethyl, and hydrocarbon substituents selected from alkyl of 1-10 carbon atoms, cycloalkyl of 4-8 carbon atoms, aralkyl of 7-12 carbon atoms, or phenyl which may be substituted by alkyl of 1-10 carbon atoms, alkoxy of 1-10 carbon atoms or trifluoromethyl, at least one group R.sup.a being an electron donating substituent with the provisos that: (i) when x is 3 and all three R.sup.a groups are the same alkoxy then the alkoxy group has at least 3 carbon atoms; (ii) when R.sup.a is alkoxy and x is 1 then R.sup.a is other than propoxy; (iii) when one or more R.sup.a are alkylthio and the others (if any) are alkyl then the alkylthio group has at least 2 carbon atoms; (iv) when R.sup.a is aryloxy and x is 3 then at least one group R.sup.a is other than aryloxy. The compounds are useful intermediates in an improved process for preparing fused carbocyclic ring derivatives of pyridine especially 5,6,7,8-tetrahydroquinoline 8-nitriles and thioamides which is described in co-pending U.S. Ser. No. 506,278. The nitriles and thioamides are anti-ulcer and/or anti-secretory agents.

  该发明涉及公式IIIA R.sub.x.sup.a Si(NCS).sub.4-x IIIA的新化合物，其中R.sup.a从以下供电子给体取代物中选择：1-10个碳原子的烷氧基，4-8个碳原子的环烷氧基，7-12个碳原子的芳基氧基，苯氧基，可能被1-10个碳原子的烷基，1-10个碳原子的烷氧基或三氟甲基取代，基团R.sup.b R.sup.c N-其中R.sup.b和R.sup.c从1-6个碳原子的烷基，4-6个碳原子的环烷基，可能被1-10个碳原子的烷基，1-10个碳原子的烷氧基或三氟甲基取代的苯基，7-12个碳原子的芳基或R.sup.b和R.sup.c可以连接形成与氮原子的吡咯啉基或哌啶基，该环可能被1-10个碳原子的烷基取代；1-10个碳原子的烷硫基，4-8个碳原子的环烷硫基，7-12个碳原子的芳基硫基，可能被1-10个碳原子的烷基，1-10个碳原子的烷氧基或三氟甲基取代的苯硫基，以及从1-10个碳原子的烷基，4-8个碳原子的环烷基，7-12个碳原子的芳基，或可能被1-10个碳原子的烷基，1-10个碳原子的烷氧基或三氟甲基取代的苯基的烃取代物中选择的烃基，至少一个基团R.sup.a是一个供电子给体取代物，但需满足以下条件：(i)当x为3且所有三个R.sup.a基团相同时，则烷氧基至少有3个碳原子；(ii)当R.sup.a为烷氧基且x为1时，则R.sup.a不是丙氧基；(iii)当一个或多个R.sup.a为烷硫基而其他的（如果有的话）为烷基时，则烷硫基至少有2个碳原子；(iv)当R.sup.a为芳氧基且x为3时，则至少一个R.sup.a基团不是芳氧基。这些化合物是制备吡啶的融合碳环戒的衍生物的改进过程中的有用中间体，特别是5,6,7,8-四氢喹啉-8-腈和硫酰胺，该过程在共同待决的美国专利申请号506,278中描述。这些腈和硫酰胺是抗溃疡和/或抗分泌剂。
• Preparation of fused carbocyclic ring derivatives of pyridine
  申请人：John Wyeth & Brother Limited

  公开号：US04539406A1

  公开（公告）日：1985-09-03

  An improved process for preparing fused carbocyclic ring derivatives of pyridine especially 5,6,7,8-tetrahydroquinoline 8-nitriles, amides and thioamides is described. The nitriles and thioamides are anti-ulcer and/or anti-secretory agents. Typically a compound of formula A ##STR1## wherein M is sodium, potassium, lithium or MgHal where Hal is chlorine, bromine or iodine, is reacted with a silyl compound R.sub.x.sup.a Si(NCY).sub.4-x III, wherein R.sup.a is selected from electron donating substituents, e.g. alkoxy or dialkylamino, and hydrocarbon substituents e.g. alkyl, at least one R.sup.a being an electron donating substituent, Y is oxygen or sulphur, x has a value from 1 to 3, then subjecting the product to hydrolysis or alcoholysis to obtain the corresponding nitrile, amide or thioamide, provided that when a nitrile is desired the molar ratio of compound III to compound A is at least 2:1 and x is 3 and Y is S. The products may be isolated as acid addition salts. Compound A may carry various substituents e.g. hydrocarbon substituents. Some compounds of formula III are novel and are also claimed.

  描述了一种改进的制备过程，用于合成吡啶的融合碳环衍生物，尤其是5,6,7,8-四氢喹啉8-腈、酰胺和硫代酰胺。这些腈和硫代酰胺是抗溃疡和/或抗分泌剂。通常，式A化合物（其中M是钠、钾、锂或MgHal，Hal是氯、溴或碘）与一个硅基化合物R.sub.x.sup.a Si(NCY).sub.4-x III反应，其中R.sup.a选自电子供体取代基，例如烷氧基或二烷基氨基，以及烃取代基，例如烷基，至少一个R.sup.a是电子供体取代基，Y是氧或硫，x的值从1到3，然后将产物进行水解或醇解以获得相应的腈、酰胺或硫代酰胺，如果需要腈，则化合物III与化合物A的摩尔比至少为2:1，且x为3，Y为S。这些产品可以隔离为酸加成盐。化合物A可以带有各种取代基，例如烃取代基。式III中的一些化合物是新颖的，也申请了专利。
• Some reactions of disilyl sulphide
  作者：C. Glidewell

  DOI：10.1016/0022-1902(69)80240-x

  日期：1969.5

  The reactions of disilyl sulohide with some protonic acids, covalent halides and salts are described. A convenient preparation of disilyl sulphide from silyl bromide is described and the existence of silyl mercaptan is confirmed.

  描述了二甲硅烷基硫化物与一些质子酸，共价卤化物和盐的反应。描述了一种从甲硅烷基溴方便地制备二甲硅烷基硫的方法，并证实了甲硅烷基硫醇的存在。
• Formation of iridium fluoroacyl complexes by reaction of iridium carbonyls with XeF2 and reactions of these to generate unusual acyl complexes
  作者：E. A. V. Ebsworth、Neil Robertson、Lesley J. Yellowlees

  DOI：10.1039/dt9930001031

  日期：——

  Fluoroacyl complexes of iridium have been prepared by reaction of XeF2 with iridium carbonyl complexes [Ir(CO)3L2]+(L = PMe3, PMe2Ph, PEt2Ph or PEtPh2), [Ir(CO)2Cl(PMe3)2] and [Ir(CO)-(PMe3)4]+. The reaction can be viewed as an unusual type of oxidative addition and this is supported by the need for strongly electron-donating phosphines for reaction to occur. The complex [Ir(CO)2F(COF)-(PEt3)2]+ reacts

  铱的氟酰基配合物已经被制备的XeF的反应2与铱羰基配合物[Ir（CO）3大号2 ] +（L = PME 3，PME 2 PH，PET 2 PH或PEtPh 2），的[Ir（CO）2 Cl（PMe 3）2 ]和[Ir（CO）-（PMe 3）4 ] +。该反应可以看作是一种不常见的氧化加成反应，这是由于需要强供电子膦来进行反应而得到支持的。络合物[Ir（CO）2 F（COF）-（PEt 3）2 ]+与SiH 3 X（X = CN，NCS或NCO）反应，得到酰基络合物[Ir（CO） 2 F（COX）（PEt 3） 2 ] +，与BF 3反应，得到[Ir（CO） 3 F（ PEt 3） 2 ] 2+。该指示进一步与PMe 3反应，得到酰基产物，其中PMe 3与羰基配体结合。配合物[Ir（CO） 3（PPh 3） 2 ] +与XeF 2 + BF 3反应生成[Ir（CO） 3 F（PPh 3）2 ]
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D3, 6.2.4.7.7.11, page 216 - 216
  作者：

  DOI：——

  日期：——