6-Mercapto-hex-2-in | 77213-93-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醇
• 英文名称: 6-Mercapto-hex-2-in
• 英文别名: hex-4-yne-1-thiol
• CAS: 77213-93-5
• 化学式: C₆H₁₀S
• 分子量: 114.211
• InChiKey: QOVXFEWVANZAKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  6-Mercapto-hex-2-in 生成 6-Methyl-3,4-dihydro-2H-thiopyran
  参考文献：
  名称：

  DUPUY C.; CROZET M.-P.; SURZUR J.-M., BULL. SOC. CHIM. FRANCE, 1980, PART 2, NO 7-8, 361-373

  摘要：

  DOI：
• 作为产物：
  描述：

  6-氯-2-己炔 在 ammonium hydroxide 、 对苯二酚 作用下， 以 乙醇 为溶剂， 反应 28.0h， 生成 6-Mercapto-hex-2-in
  参考文献：
  名称：

  Dupuy, Claude; Surzur, Jean-Marie, Bulletin de la Societe Chimique de France, 1980, vol. 2, # 7-8, p. 353 - 360

  摘要：

  DOI：

文献信息

• [EN] AMIDE COMPOUND AND PLANT DISEASE CONTROL USING THE SAME<br/>[FR] COMPOSÉ D'AMIDE ET AGENT D'ÉLIMINATION D'UNE MALADIE DES PLANTES L'UTILISANT
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2009057668A1

  公开（公告）日：2009-05-07

  ABSTRACT The present invention is intended to provide a compound having an excellent controlling effect on plant diseases. An amide compound represented by the formula (1): wherein groups represented by Q, A1, G1, X1, X2, X3 and Z1 have the same meaning as defined in the description, has an excellent controlling effect on plant diseases.

  摘要 本发明旨在提供一种对植物病害具有优异控制效果的化合物。由式（1）表示的酰胺化合物：其中由Q、A1、G1、X1、X2、X3和Z1表示的基团具有与描述中定义相同的含义，对植物病害具有优异的控制效果。
• Method for producing anellated tetrahydro-{1h}-triazoles
  申请人：——

  公开号：US20040097728A1

  公开（公告）日：2004-05-20

  The present invention relates to a process for preparing fused tetrahydro-[ 1 H]-triazoles of the formula I 1 where the variables R a , Z, Z 1 , X, W, n and Q are as defined in claim 1, by cyclization of compounds of the formula II 2 where R is C(X)OR 2 or C(X)SR 2 , where X is oxygen or sulfur, and R 2 is as defined in claim 1, in the presence of a base. The invention also relates to compounds of the formula I where W is sulfur if Z is a methylene group optionally substituted by R a , and furthermore to compounds of the formula I where Q is a benzoxazole or benzothiazole radical, and to the use of these compounds as herbicides.

  本发明涉及一种制备公式I的熔融四氢咪唑的方法，其中变量Ra、Z、Z1、X、W、n和Q如权利要求1中定义，通过在碱存在下，将公式II的化合物环化得到，其中R为C(X)OR2或C(X)SR2，其中X为氧或硫，R2如权利要求1中定义。该发明还涉及公式I的化合物，其中如果Z是可选地由Ra取代的亚甲基基团，则W为硫，此外还涉及公式I的化合物，其中Q为苯并噁唑或苯并噻唑基团，并将这些化合物用作除草剂。
• [EN] 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS<br/>[FR] COMPOSÉS 4-(4-PYRIMIDYL)-BENZAMIDES ET UTILISATION DE CEUX-CI COMME MODULATEURS DE L'ACTIVITÉ DE KINASES RHO (ROCK)
  申请人：ABBOTT GMBH & CO KG

  公开号：WO2009027392A1

  公开（公告）日：2009-03-05

  The present invention relates to novel 4-(4-pyridyl)-benzamides of the formula (I). The compounds I possess valuable therapeutic properties and are suitable, in particular, for treating diseases that respond to modulation of Rho kinases (ROCKs). R1 and R2 are, independently of each other, hydrogen, hydroxy, cyano, C1-C8-alkyl, C1- C8-haloalkyl, C1-C8-alkoxy or C1-C8-haloalkoxy; R3, R4, R5 and R6 are, independently of each other, hydrogen, hydroxy, halogen, cyano, C1-C8-alkyl, C1-C8-haloalkyl, C1-C8-alkoxy, C1-C8-haloalkoxy, amino, C1-C8-alkylamino or di-(C1-C8-alkyl)-amino; R7 is hydrogen, C1-C8-alkyl, C1-C8-haloalkyl, aryl or aryl-C1-C8-alkyl; R8 is a group of the formula -X-W, where X is a single bond, C1-C4-alkylene or C1-C4-alkylene-O-, where the alkylene group in the three last-mentioned radicals may be linear or branched and may be partly or fully halogenated and/or may be substituted by a hydroxyl group and/or may be interrupted by an oxygen atom; and W is a cyclic radical selected from phenyl and a 5- or 6-membered saturated, partly unsaturated or aromatic heterocyclic ring which contains as ring members 1, 2 or 3 heteroatoms selected from O, S and N and optionally 1 or 2 carbonyl groups; R9 is a group of the formula -Y-Z, where Z is hydrogen, halogen, OR11, NR12R13, S(O)m-R14, phenyl which may carry 1, 2, 3 or 4 substituents R15 or a 5- or 6-membered saturated, partly unsaturated or aromatic heterocyclic ring; and Y is linear or branched C1C4-alkylene which may be partly or fully halogenated and/or may be substituted by a hydroxyl group and/or a phenyl ring; or, in case Z is phenyl or the 5- or 6-membered heterocyclic ring as defined above, Y can also be a single bond.

  本发明涉及公式（I）的新型4-(4-吡啶基)-苯甲酰胺。化合物I具有有价值的治疗性能，并且特别适用于治疗对Rho激酶（ROCKs）调节产生反应的疾病。R1和R2分别为氢、羟基、氰基、C1-C8-烷基、C1-C8-卤代烷基、C1-C8-烷氧基或C1-C8-卤代烷氧基；R3、R4、R5和R6分别为氢、羟基、卤素、氰基、C1-C8-烷基、C1-C8-卤代烷基、C1-C8-烷氧基、C1-C8-卤代烷氧基、氨基、C1-C8-烷基氨基或二(C1-C8-烷基)-氨基；R7为氢、C1-C8-烷基、C1-C8-卤代烷基、芳基或芳基-C1-C8-烷基；R8为-X-W的基团，其中X为单键、C1-C4-烷基或C1-C4-烷基-O-，在上述最后三个基团中的烷基可以是直链或支链，可以部分或完全卤代，和/或可以被羟基取代，和/或可以被氧原子打断；W为选择自苯基和含有1、2或3个来自O、S和N的杂原子以及可选地包含1或2个羰基的5-或6-成员饱和、部分不饱和或芳香杂环的环基；R9为-Y-Z的基团，其中Z为氢、卤素、OR11、NR12R13、S(O)m-R14、可能携带1、2、3或4个取代基R15的苯基或5-或6-成员饱和、部分不饱和或芳香杂环的环基；Y为线性或支链的C1-C4-烷基，可以部分或完全卤代，和/或可以被羟基取代，和/或可以是苯环；或者，如果Z为苯基或上述定义的5-或6-成员杂环环，Y也可以是单键。
• Carboxylic acid derivative and medicine comprising salt or ester of the same
  申请人：——

  公开号：US20040214888A1

  公开（公告）日：2004-10-28

  The present invention provides novel carboxylic acid derivatives useful as an insulin sensitizer, a salt thereof or a hydrate of them, and a medicament comprising the derivative as the active ingredient. Specifically, it provides a carboxylic acid derivative represented by the following formula: 1 (wherein L represents a single bond, or a C1 to C6 alkylene group, a C2 to C6 alkenylene group or a C2 to C6 alkynylene group, each of which may have one or more substituent groups; M represents a single bond, or a C1 to C6 alkylene group, a C2 to C6 alkenylene group or a C2 to C6 alkynylene group, each of which may have one or more substituent groups; T represents a single bond, or a C1 to C3 alkylene group, a C2 to C3 alkenylene group or a C2 to C3 alkynylene group, each of which may have one or more substituent groups; W represents a carboxyl group; X represents a single bond, an oxygen atom, or a group represented by the various substituent groups including —NR X1 CQ 1 O— (wherein Q 1 represents an oxygen atom or a sulfur atom; R X1 represents a hydrogen atom, a cyano group, a formyl group, or various groups including a C1 to C6 alkyl group and a C1 to C6 hydroxyalkyl group, each of which may have one or more substituent groups), ONR X1 CQ 1 —, —NR X1 CQ 1 —, —CQ 1 NR X1 —, —NR X1a CQ 1 NR X1b —, —Q 2 SO 2 — and —SO 2 Q 2 —; Y represents a 5 to 14-membered aromatic group which may have one or more substituent groups and one or more hetero atoms, or a C3 to C7 alicyclic hydrocarbon group; and the rings Z and U may be the same as or different from each other and each represents a 5 to 14-membered aromatic group which may have 1 to 4 substituent groups and one or more hetero atoms, and the ring may be partially saturated.), a salt thereof, an ester thereof or a hydrate of them.

  本发明提供了一种新型羧酸衍生物，可用作胰岛素增敏剂，其盐或其水合物，以及包含该衍生物作为活性成分的药物。具体而言，本发明提供了一种由以下式子表示的羧酸衍生物：1（其中L表示单键，或C1至C6烷基，C2至C6烯基或C2至C6炔基，每个基团都可以有一个或多个取代基；M表示单键，或C1至C6烷基，C2至C6烯基或C2至C6炔基，每个基团都可以有一个或多个取代基；T表示单键，或C1至C3烷基，C2至C3烯基或C2至C3炔基，每个基团都可以有一个或多个取代基；W表示羧基；X表示单键，氧原子，或由各种取代基表示的基团，包括-NRX1CQ1O-（其中Q1表示氧原子或硫原子；RX1表示氢原子，氰基，甲酰基或各种基团，包括C1至C6烷基和C1至C6羟基烷基，每个基团都可以有一个或多个取代基），ONRX1CQ1-，-NRX1CQ1-，-CQ1NRX1-，-NRX1aCQ1NRX1b-，-Q2SO2-和-SO2Q2-；Y表示一个具有1个或多个取代基和1个或多个杂原子的5至14环芳基，或一个C3至C7脂环烃基；环Z和环U可以相同或不同，每个环表示一个具有1至4个取代基和1个或多个杂原子的5至14环芳基，环可能部分饱和），其盐，酯或其水合物。
• Carboxylic acid derivative and salt thereof
  申请人：——

  公开号：US20040102634A1

  公开（公告）日：2004-05-27

  The present invention provides a novel carboxylic acid compound, a salt thereof or a hydrate of them useful as an insulin sensitizer, and a medicament comprising the compound as an active ingredient. That is, the present invention provides a carboxylic acid compound represented by the following formula, a salt thereof, an ester thereof or a hydrate of them. 1 Wherein R 1 represents a hydrogen atom, hydroxyl group, halogen, carboxyl group, or a C 1-6 alkyl group etc., each of which may have one or more substituents; L represents a single bond, or a C 1-6 alkylene group, a C 2-6 alkenylene group or a C 2-6 alkynylene group, each of which may have one or more substituents; M represents a single bond, or a C 1-6 alkylene group, a C 2-6 alkenylene group or a C 2-6 alkynylene group, each of which may have one or more substituents; T represents a single bond, or a C 1-3 alkylene group, a C 2-3 alkenylene group or a C 2-3 alkynylene group, each of which may have one or more substituents; W represents a carboxyl group; 2 represents a single bond etc.; X represents a single bond, oxygen atom, a group represented by —NR X1 CQ 1 O— (wherein Q 1 represents an oxygen atom or sulfur atom; and R X1 represents a hydrogen atom, formyl group, or a C 1-6 alkyl group etc., each of which may have one or more substituents), —OCQ 1 NR X1 — (wherein Q 1 and R X1 are as defined above), —CQ 1 NR X1 O— (wherein Q 1 and R X1 are as defined above), ONR X1 CQ 1 — (wherein Q 1 and R X1 are as defined above), -Q 2 SO 2 — (wherein Q 2 is an oxygen atom or —NR X10 — (wherein R X10 represents a hydrogen atom, formyl group, or a C 1-6 alkyl group etc., each of which may have one or more substituents)) or —SO 2 Q 2 - (wherein Q 2 is as defined above), (wherein, provided that R X2 and R X3 , and/or R X4 and R X5 may together form a ring, Q 3 and Q 4 are the same as or different from each other and each represents an oxygen atom, (O)S(O) or NR X10 (wherein NR X10 is as defined above)); Y represents a 5- to 14-membered aromatic group etc., which may have one or more substituents and one or more hetero atoms; and the ring Z represents a 5- to 14-membered aromatic group which may have 0 to 4 substituents and one or more hetero atoms, and wherein part of the ring may be saturated.

  本发明提供了一种新型的羧酸化合物、其盐或水合物，作为胰岛素增敏剂，并且提供了一种包含该化合物作为活性成分的药物。即，本发明提供了由以下式表示的羧酸化合物、其盐、酯或水合物。其中，R1表示氢原子、羟基、卤素、羧基或C1-6烷基等，每个都可以有一个或多个取代基；L表示单键，或C1-6烷基、C2-6烯基或C2-6炔基等，每个都可以有一个或多个取代基；M表示单键，或C1-6烷基、C2-6烯基或C2-6炔基等，每个都可以有一个或多个取代基；T表示单键，或C1-3烷基、C2-3烯基或C2-3炔基等，每个都可以有一个或多个取代基；W表示羧基；2表示单键等；X表示单键、氧原子、由—NRX1CQ1O—表示的基团（其中，Q1表示氧原子或硫原子；RX1表示氢原子、甲酰基或C1-6烷基等，每个都可以有一个或多个取代基）、由—OCQ1NRX1—表示的基团（其中，Q1和RX1如上所定义）、由—CQ1NRX1O—表示的基团（其中，Q1和RX1如上所定义）、由ONRX1CQ1—表示的基团（其中，Q1和RX1如上所定义）、由-Q2SO2—表示的基团（其中，Q2是氧原子或—NRX10—（其中，RX10表示氢原子、甲酰基或C1-6烷基等，每个都可以有一个或多个取代基））或由—SO2Q2—表示的基团（其中，Q2如上所定义），（其中，假设RX2和RX3，以及RX4和RX5可以共同形成环，Q3和Q4相同或不同，每个表示氧原子、（O）S（O）或NRX10（其中，NRX10如上所定义））；Y表示5-至14-成员芳香基等，可以有一个或多个取代基和一个或多个杂原子；环Z表示5-至14-成员芳香基，可以有0至4个取代基和一个或多个杂原子，其中环的一部分可以饱和。