6-(1-chloro-6-methylhept-4-yn6-yl)-2, 2, 5, 5-tetramethyl-1-aza-2 5-DISILACYCLOPENTANE | 696613-13-5

• 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
• 英文名称: 6-(1-chloro-6-methylhept-4-yn6-yl)-2, 2, 5, 5-tetramethyl-1-aza-2 5-DISILACYCLOPENTANE
• 英文别名: 1-(1-chloro-6-methylhept-4-yn-6-yl)-2,2,5,5-tetramethyl-1-aza-2,5-disilacyclopentane；6-(1-chloro-6-methylhept-4-yn-6-yl)-2,2,5,5-tetramethyl-1-aza-2,5-disilacyclopentane；1-(6-chloro-1,1-dimethyl-hex-2-ynyl)-2,2,5,5-tetramethyl[1,2,5]azadisilolidine；1-(7-Chloro-2-methylhept-3-yn-2-yl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
• CAS: 696613-13-5
• 化学式: C₁₄H₂₈ClNSi₂
• 分子量: 302.007
• InChiKey: QDSIVVMJIZSLFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.51
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-(1-chloro-6-methylhept-4-yn6-yl)-2, 2, 5, 5-tetramethyl-1-aza-2 5-DISILACYCLOPENTANE 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 N,N-二甲基丙烯基脲 、 hexanes 为溶剂， 反应 2.0h， 生成 1-(3-cyclopropyl-1,1-dimethyl-prop-2-ynyl)-2,2,5,5-tetramethyl[1,2,5]azadisilolidine
  参考文献：
  名称：

  [EN] ASPARTYL PROTEASE INHIBITORS
  [FR] INHIBITEURS D'ASPARTYL PROTÉASE

  摘要：

  公式（I）的化合物N-氧化物，加成盐，季铵盐金属配合物立体化异构体及其代谢物，其中A为CR1或N；公式（A）或公式（B）D为H，C1-C6烷基，C2-C6烯基，C2-C6炔基，G为NR10或O，Q为C1-C6烷基，C2-C6烯基，C2-C6炔基，C3-C6环烷基，芳基或杂环烷基；W为H，C1-C6烷基，C3-C6环烷基，CH2F，CHF2或CF3；X'和X"中的一个为H或CH3，另一个为C1-C3烷基，F，OH，NRaRb，CF3或N3；或者X'和X"都是F；Y为NRd或O；Z为O，NRa，CHRd，CF2或S（=0）r或键；其他变量如规范中定义。本发明的化合物是BACE的抑制剂，除其他用途外，还可用于治疗和/或预防与BACE活性相关的疾病，如阿尔茨海默病。

  公开号：

  WO2010107384A1
• 作为产物：
  描述：

  1,2-双(氯二甲基硅基)乙烷 在 正丁基锂 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 27.58h， 生成 6-(1-chloro-6-methylhept-4-yn6-yl)-2, 2, 5, 5-tetramethyl-1-aza-2 5-DISILACYCLOPENTANE
  参考文献：
  名称：

  [EN] N-ALKYNYL-2- (SUBSTITUTED ARYLOXY) ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES
  [FR] DERIVES DE N-ALKYNYLE-2- (SUBSTITUE ARYLOXY) ALKYLTHIOAMIDE COMME FONGICIDES

  摘要：

  一般公式（1）中的杀菌化合物，其中Ar是公式（A）、（B1）、（B2）或（C）的组，或Ar是5-或6-连接的公式（D1）或（D2）的组；且R1、R2、R3、R4、R5、n、A1、A2、A3、A4、A5、Ka、Kb、L、M、V、W、X、Y和Z具有权利要求1中给出的定义。

  公开号：

  WO2004108663A1

文献信息

• [EN] QUINOLIN-, ISOQUINOLIN-, AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES<br/>[FR] OXYALKYLAMIDES DE QUINOLINE, D'ISOQUINOLINE ET DE QUINAZOLINE ET LEUR UTILISATION COMME FONGICIDES
  申请人：SYNGENTA LTD

  公开号：WO2004047538A1

  公开（公告）日：2004-06-10

  Fungicidal compounds of the general formula (1) wherein one of X and Y is N or N-oxide and the other is CR or both of X and Y are N.

  通用公式（1）中的杀真菌化合物，其中X和Y中的一个是N或N-氧化物，另一个是CR，或者X和Y都是N。
• [EN] FUNGICIDES<br/>[FR] FONGICIDES
  申请人：SYNGENTA LTD

  公开号：WO2004048315A1

  公开（公告）日：2004-06-10

  Fungicidal compounds of the general formula (1): wherein X, Y and Z are independently H, halogen, Cl-4 alkyl, halo(C1-4)alkyl, C2-4 alkenyl, halo(C2-4)alkenyl, C24 alkynyl, halo(C2-4)alkynyl, C1_4 alkoxy, halo(C1-4)alkoxy, -S(O)n(C1-4)alkyl where n is 0, 1 or 2 and the alkyl group is optionally substituted with fluoro, -OS02(C1-4)alkyl where the alkyl group is optionally substituted with fluoro, cyano, nitro, C,1-4 alkoxycarbonyl, -CONR'R', -COR', -NR'COR' or -NR'COOR'' where R' and R' are independently H or C1-4 alkyl and R'' is Cl-4 alkyl, provided that at least one of X and Z is other than H; R1 is Cl-4 alkyl, C2-4 alkenyl or C2-4 alkynyl in which the alkyl, alkenyl and alkynyl groups are optionally substituted on their terminal carbon atom with one, two or three halogen atoms, with a cyano group, with a C1-4 alkylcarbonyl group, with a C1-4 alkoxycarbonyl group or with a hydroxy group; R2 is H, C1-4 alkyl, C1-4 alkoxymethyl or benzyloxymethyl in which the phenyl ring of the benzyl moiety is optionally substituted with CI-4 alkoxy; R3 and R4 are independently H, C1-3 alkyl, C2-3 alkenyl or C2-3 alkynyl provided that both are not H and that when both are other than H their combined total of carbon atoms does not exceed 4, or R3 and R4 join with the carbon atom to which they are attached to form a 3 or 4 membered carbocyclic ring optionally containing one 0, S or N atom and optionally substituted with halo or C1-4 alkyl; and R5 is unsubstituted C3-4 alkyl, unsubstituted C3-6 cycloalkyl or Cl-4 alkyl or C3-6 cycloalkyl in which the alkyl and cycloalkyl groups are substituted with halo, hydroxy, C1-6 alkoxy, cyano, C1-4 alkylcarbonyloxy, aminocarbonyloxy, mono- or di(C1_4)alkylaminocarbonyloxy, -S(O)'(C1-6)alkyl where n is 0, 1 or 2, triazolyl, tri(C1-4)alkylsilyloxy, optionally substituted phenoxy, optionally substituted thienyloxy, optionally substituted benzyloxy or optionally substituted thienyl-methoxy, in which the optionally substituted phenyl and thienyl rings of phenoxy, thienyloxy, benzyloxy and thienylmethoxy are optionally substituted with one, two or three substituents selected from halo, hydroxy, mercapto, C1-4 alkyl, C2-4 alkenyl, C2-4 alkynyl, C1-4 alkoxy, C2-4 alkenyloxy, C2-4 alkynyloxy, halo(C1-4)­alkyl, halo(C1-4)alkoxy, C1-4 alkylthio; halo(C1-4)alkylthio, hydroxy(C1-4)alkyl, C1-4 alkoxy(C1-4)alkyl, C3-6 cycloalkyl, C3-6 cycloalkyl(C1-4)alkyl, phenoxy, benzyloxy, benzoyloxy, cyano, isocyano, thiocyanato, isothiocyanato, nitro, -NR-R', -NHCORm, -NHCONRmR', -CONRmR', -S02Rm, -OS02Rm, -CORM, -CR'=NR' or -N=CRmR', in which R'' and R' are independently hydrogen, CI-4 alkyl, halo(C1-4)alkyl, C1-4 alkoxy, halo(C1-4)alkoxy, C1-4 alkylthio, C3-6 cycloalkyl, C3-6 cycloalkyl(C 1-4)alkyl, phenyl or benzyl, the phenyl and benzyl groups being optionally substituted with halogen, C1-4 alkyl or C1-4 alkoxy.

  通用公式（1）的杀真菌化合物：其中X、Y和Z独立地为H、卤素、Cl-4烷基、卤代（C1-4）烷基、C2-4烯基、卤代（C2-4）烯基、C24炔基、卤代（C2-4）炔基、C1-4烷氧基、卤代（C1-4）烷氧基、-S（O）n（C1-4）烷基，其中n为0、1或2，烷基基团可选择地用氟取代，-OSO2（C1-4）烷基，其中烷基基团可选择地用氟、氰基、硝基、C1-4烷氧羰基、-CONR'R'、-COR'、-NR'COR'或-NR'COOR''取代，其中R'和R'独立地为H或C1-4烷基，R''为Cl-4烷基，前提是X和Z中至少有一个不为H；R1为Cl-4烷基、C2-4烯基或C2-4炔基，其中烷基、烯基和炔基基团可选择地在其末端碳原子上用一个、两个或三个卤素原子、氰基、C1-4烷基羰基、C1-4烷氧羰基或羟基取代；R2为H、C1-4烷基、C1-4烷氧甲基或苄氧甲基，其中苄基部分的苯环可选择地用CI-4烷氧基取代；R3和R4独立地为H、C1-3烷基、C2-3烯基或C2-3炔基，前提是两者均不为H，且当两者均不为H时，它们的碳原子总数不超过4，或者R3和R4与它们所连接的碳原子结合形成一个含有一个氧、硫或氮原子的3或4元环状环，可选择地用卤素或C1-4烷基取代；R5为未取代的C3-4烷基、未取代的C3-6环烷基或Cl-4烷基或C3-6环烷基，其中烷基和环烷基基团可用卤素、羟基、C1-6烷氧基、氰基、C1-4烷基羰氧基、氨基羰氧基、单取代或双（C1-4）烷基氨基羰氧基、-S（O）'(C1-6)烷基（其中n为0、1或2）、三唑基、三（C1-4）烷基硅氧基、可选择取代的苯氧基、可选择取代的噻吩氧基、可选择取代的苄氧基或可选择取代的噻吩基甲氧基，其中可选择取代的苯环和噻吩环的苯氧基、噻吩氧基、苄氧基和噻吩基甲氧基可选择地用一个、两个或三个取代基选自卤素、羟基、巯基、C1-4烷基、C2-4烯基、C2-4炔基、C1-4烷氧基、C2-4烯氧基、C2-4炔氧基、卤代（C1-4）烷基、卤代（C1-4）烷氧基、C1-4烷硫基、卤代（C1-4）烷硫基、羟基（C1-4）烷基、C1-4烷氧基（C1-4）烷基、C3-6环烷基、C3-6环烷基（C1-4）烷基、苯氧基、苄氧基、苯甲酰氧基、氰基、异氰基、硫氰酸基、异硫氰酸基、硝基、-NR-R'、-NHCORm、-NHCONRmR'、-CONRmR'、-S02Rm、-OS02Rm、-CORM、-CR'=NR'或-N=CRmR'，其中R''和R'独立地为氢、CI-4烷基、卤代（C1-4）烷基、C1-4烷氧基、卤代（C1-4）烷氧基、C1-4烷硫基、C3-6环烷基、C3-6环烷基（C 1-4）烷基、苯基或苄基，苯基和苄基可选择地用卤素、C1-4烷基或C1-4烷氧基取代。
• [EN] N-ALKYNYL-2- (SUBSTITUTED ARYLOXY) ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES<br/>[FR] DERIVES DE N-ALKYNYLE-2- (SUBSTITUE ARYLOXY) ALKYLTHIOAMIDE COMME FONGICIDES
  申请人：SYNGENTA LTD

  公开号：WO2004108663A1

  公开（公告）日：2004-12-16

  Fungicidal compounds of the general formula (1), wherein Ar is a group of the formula (A), (B1), (B2) or (C), or Ar is a 5- or 6-linked group of the formula (D1) or (D2); and R1, R2, R3, R4, R5, n, A1, A2, A3, A4, A5, Ka, Kb, L, M, V, W, X,Y and Z have the definitions given in claim 1.

  一般公式（1）中的杀菌化合物，其中Ar是公式（A）、（B1）、（B2）或（C）的组，或Ar是5-或6-连接的公式（D1）或（D2）的组；且R1、R2、R3、R4、R5、n、A1、A2、A3、A4、A5、Ka、Kb、L、M、V、W、X、Y和Z具有权利要求1中给出的定义。
• [EN] ASPARTYL PROTEASE INHIBITORS<br/>[FR] INHIBITEURS D'ASPARTYL PROTÉASE
  申请人：MEDIVIR AB

  公开号：WO2010107384A1

  公开（公告）日：2010-09-23

  A compound of formula (I) N-oxides, addition salts, quaternary amines metal complexes stereochemically isomeric forms and metabolites thereof, wherein A is CR1 Or N; formula (A) or formula (B) D is H, C1-C6alkyl, C2-C6alkenyl, C2-C6alkynyl, G is NR10 or O Q is C1-C6alkyl, C2-C6alkenyl, C2-C6alkynyl, C3-C6Cycloalkyl, aryl or heterocyclyl; W is H, C1-C6alkyl, C3-C6Cycloalkyl, CH2F, CHF2 or CF3; one of X' and X" is H or CH3, the other is C1-C3alkyl, F, OH, NRaRb, CF3 or N3; or X' and X" are both F; Y is NRd or O; Z is O, NRa, CHRd, CF2 or S(=0)r or a bond; the other variables are as defined in the specification. The compounds of the invention are inhibitors of BACE and are among other things useful for the treatment and/or prevention of conditions associated with BACE activity such as Alzheimer's disease.

  公式（I）的化合物N-氧化物，加成盐，季铵盐金属配合物立体化异构体及其代谢物，其中A为CR1或N；公式（A）或公式（B）D为H，C1-C6烷基，C2-C6烯基，C2-C6炔基，G为NR10或O，Q为C1-C6烷基，C2-C6烯基，C2-C6炔基，C3-C6环烷基，芳基或杂环烷基；W为H，C1-C6烷基，C3-C6环烷基，CH2F，CHF2或CF3；X'和X"中的一个为H或CH3，另一个为C1-C3烷基，F，OH，NRaRb，CF3或N3；或者X'和X"都是F；Y为NRd或O；Z为O，NRa，CHRd，CF2或S（=0）r或键；其他变量如规范中定义。本发明的化合物是BACE的抑制剂，除其他用途外，还可用于治疗和/或预防与BACE活性相关的疾病，如阿尔茨海默病。