tert-butyl N-methyl-N-[3-[4-[methyl-[(1R)-tetralin-1-yl]carbamoyl]thiazol-2-yl]propyl]carbamate | 1312712-25-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: tert-butyl N-methyl-N-[3-[4-[methyl-[(1R)-tetralin-1-yl]carbamoyl]thiazol-2-yl]propyl]carbamate
• 英文别名: methyl-{3-[4-((R)-methyl-1,2,3,4-tetrahydro-naphthalen-1-yl-carbamoyl)-thiazol-2-yl]-propyl}-carbamic acid tert-butyl ester；tert-butyl N-methyl-N-[3-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-1,3-thiazol-2-yl]propyl]carbamate
• CAS: 1312712-25-6
• 化学式: C₂₄H₃₃N₃O₃S
• 分子量: 443.61
• InChiKey: BNVAYPTZJWPSQN-HXUWFJFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  91
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl N-methyl-N-[3-[4-[methyl-[(1R)-tetralin-1-yl]carbamoyl]thiazol-2-yl]propyl]carbamate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 以94%的产率得到2-(3-methylamino-propyl)-thiazole-4-carboxylic acid methyl-(R)-1,2,3,4-tetrahydro-naphthalen-1-yl-amide hydrochloride
  参考文献：
  名称：

  PYRAZOLE DERIVATIVES

  摘要：

  本发明涉及具有微生物杀灭活性，特别是真菌杀灭活性的式（I）的杂环化合物：式（I）其中G1和G2分别为O或S；T为—C(R9R10)—，—C(R11)═C(R12)—，—C≡C—，NR13或O；Y1和Y2分别为CR14或N；Q为—C(═O)—N(R15)-z，—C(═S)—N(R16)-z，—C(═O)—O-z，—N(R17)—C(═O)-z，—N(R18)—C(═S)-z，—N(R19)—C(═O)—O-z或—N(R20)—C(═O)—N(R21)-z，在每种情况下z表示连接到R8的键；n为1、2、3或4，当T为—C(R9R10)—，NR13或O时；n为1、2、3，当T为—C(R11)═C(R12)—或—C≡C—时；R1、R2、R3、R4、R11、R12和R14各自独立地为氢、卤素、氰基、C1-C4烷基或C1-C4卤代烷基；R5、R13、R15、R16、R17、R18、R19、R20和R21各自独立地为氢、C1-C4烷基或C1-C4烷氧基；R6和R7各自独立地为氢、卤素、氰基、羟基、C1-C4烷基、C1-C4烷氧基、C1-C4烷硫基、C1-C4卤代烷基、C1-C4卤代烷氧基、C1-C4卤代烷硫基或一起形成羰基（═O）；R9和R10各自独立地为氢、卤素、氰基、羟基、C1-C4烷基、C1-C4烷氧基、C1-C4烷硫基、C1-C4卤代烷基、C1-C4卤代烷氧基、C1-C4卤代烷硫基或一起形成羰基（═O）；而R8为苯基、苄基或基团（a）：式（a）其中苯基、苄基和基团（a）可以各自选自C1-C4烷基、C1-C4卤代烷基、卤素、氰基、羟基和氨基的1至3个取代基；或其盐或N-氧化物。

  公开号：

  US20120258990A1
• 作为产物：
  描述：

  氨甲酸,甲基-2-炔丙基-,1,1-二甲基乙基酯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 palladium on activated charcoal 、 氢气 、 二异丙胺 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 20.0~50.0 ℃ 、8.0 MPa 条件下， 反应 19.33h， 生成 tert-butyl N-methyl-N-[3-[4-[methyl-[(1R)-tetralin-1-yl]carbamoyl]thiazol-2-yl]propyl]carbamate
  参考文献：
  名称：

  氧甾醇结合蛋白抑制哌啶基噻唑类杀菌剂的开环类似物的合成

  摘要：

  新的氨基乙基-、氨基丙基-和氨基丁基-取代的噻唑-4-甲酰胺已被制备，它们是哌啶基-噻唑杀真菌剂的开环类似物。根据链长的不同，必须选择完全不同的合成方法，从与 2-溴噻唑衍生物的 Sonogashira 偶联到不同 β- 和 δ-氨基酸的噻唑环结构不等。

  DOI：

  10.1055/s-0036-1588473

文献信息

• [EN] PYRAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRAZOLE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2011076510A1

  公开（公告）日：2011-06-30

  The present invention relates to heterocyclic compounds of formula (I) which have microbiocidal activity, in particular fungicidal activity: formula (I) wherein G1 and G2 are independently O or S; T is -C(R9R10)-, -C(R11)=C(R12)-, -C≡C-, NR13 or O; Y1 and Y2 are independently CR14 or N; Q is -C(=O)-N(R15)-z, -C(=S)-N(R16)-z, -C(=O)-O-z, -N(R17)-C(=O)-z, -N(R18)-C(=S)-z, - N(R19)-C(=O)-O-z or -N(R20)-C(=O)-N(R21)-z, in each case z indicates the bond that is connected to R8; n is 1, 2, 3 or 4 when T is -C(R9R10)-, NR13 or O; n is 1, 2, 3 when T is -C(R11)=C(R12)- or -C≡C-; R1, R2, R3, R4, R11, R12 and R14 each independently are hydrogen, halogen, cyano, C1- C4alkyl, or C1-C4haloalkyl; R5, R13, R15, R16, R17, R18, R19, R20 and R21 each independently are hydrogen, C1- C4alkyl or C1-C4alkoxy; R6 and R7 each independently are hydrogen, halogen, cyano, hydroxy, C1-C4alkyl, C1- C4alkoxy, C1-C4alkylthio, C1-C4haloalkyl, C1-C4haloalkoxy, C1-C4haloalkylthio or together from a carbonyl group (=O); R9 and R10 each independently are hydrogen, halogen, cyano, hydroxy, C1-C4alkyl, C1- C4alkoxy, C1-C4alkylthio, C1-C4haloalkyl, C1-C4haloalkoxy, C1-C4haloalkylthio or together form a carbonyl group (=O); and R8 is phenyl, benzyl or group (a): formula (a) wherein the phenyl, benzyl and group (a) are each optionally substituted with 1 to 3 substituents independently selected from C1-C4 alkyl, C1-C4 haloalkyl, halogen, cyano, hydroxy and amino; or a salt or a N-oxide thereof.

  本发明涉及具有微生物杀灭活性，特别是杀真菌活性的式（I）的杂环化合物：式（I）其中G1和G2分别是O或S; T是-C（R9R10）-，-C（R11）= C（R12）-，-C≡C-，NR13或O; Y1和Y2分别是CR14或N; Q是-C（= O）-N（R15）-z，-C（= S）-N（R16）-z，-C（= O）-O-z，-N（R17）-C（= O）-z，-N（R18）-C（= S）-z，-N（R19）-C（= O）-O-z或-N（R20）-C（= O）-N（R21）-z，在每种情况下，z表示连接到R8的键; 当T为-C（R9R10）-，NR13或O时，n为1、2、3或4; 当T为-C（R11）= C（R12）-或-C≡C-时，n为1、2、3; R1、R2、R3、R4、R11、R12和R14各自独立地是氢、卤素、氰基、C1-C4烷基或C1-C4卤代烷基; R5、R13、R15、R16、R17、R18、R19、R20和R21各自独立地是氢、C1-C4烷基或C1-C4烷氧基; R6和R7各自独立地是氢、卤素、氰基、羟基、C1-C4烷基、C1-C4烷氧基、C1-C4烷硫基、C1-C4卤代烷基、C1-C4卤代烷氧基、C1-C4卤代烷硫基或一起形成羰基（=O）的; R9和R10各自独立地是氢、卤素、氰基、羟基、C1-C4烷基、C1-C4烷氧基、C1-C4烷硫基、C1-C4卤代烷基、C1-C4卤代烷氧基、C1-C4卤代烷硫基或一起形成羰基（=O）的; R8是苯基，苄基或群（a）：式（a）其中苯基，苄基和群（a）分别可以选自C1-C4烷基，C1-C4卤代烷基，卤素，氰基，羟基和氨基的1到3个独立取代基; 或其盐或N-氧化物。
• Pyrazole derivatives
  申请人：Sulzer Sarah

  公开号：US08629286B2

  公开（公告）日：2014-01-14

  The present invention relates to heterocycles which have microbiocidal activity, in particular, fungicidal activity. The invention also relates to preparation of these heterocycles, to heterocyclic derivatives used as intermediates in the preparation of these heterocycles, to preparation of these intermediates, to agrochemical compositions which comprise at least one of the heterocycles, to preparation of these compositions and to use of the heterocycles or compositions in agriculture or horticulture.

  本发明涉及具有微生物杀菌活性，特别是真菌杀菌活性的杂环化合物。该发明还涉及这些杂环化合物的制备，用于制备这些杂环化合物的杂环衍生物，这些衍生物的制备，包含至少一种杂环化合物的农药组合物，这些组合物的制备以及在农业或园艺中使用这些杂环化合物或组合物。
• US8629286B2
  申请人：——

  公开号：US8629286B2

  公开（公告）日：2014-01-14
• Synthesis of Ring-Opened Analogues of Oxysterol-Binding Protein-Inhibiting Piperidinyl-thiazole Fungicides
  作者：Clemens Lamberth、Sarah Sulzer-Mosse、Peter Kubizna

  DOI：10.1055/s-0036-1588473

  日期：2017.10

  Novel aminoethyl-, aminopropyl-, and aminobutyl-substituted thiazole-4-carboxamides have been prepared which are ring-opened analogues of piperidinyl-thiazole fungicides. Depending of the chain length, completely different synthetic approaches had to be chosen which vary from a Sonogashira coupling with a 2-bromothiazole derivative to a thiazole ring construction from different β- and δ-amino acids

  新的氨基乙基-、氨基丙基-和氨基丁基-取代的噻唑-4-甲酰胺已被制备，它们是哌啶基-噻唑杀真菌剂的开环类似物。根据链长的不同，必须选择完全不同的合成方法，从与 2-溴噻唑衍生物的 Sonogashira 偶联到不同 β- 和 δ-氨基酸的噻唑环结构不等。
• PYRAZOLE DERIVATIVES
  申请人：Sulzer Sarah

  公开号：US20120258990A1

  公开（公告）日：2012-10-11

  The present invention relates to heterocyclic compounds of formula (I) which have microbiocidal activity, in particular fungicidal activity: formula (I) wherein G 1 and G 2 are independently O or S; T is —C(R 9 R 10 )—, —C(R 11 )═C(R 12 )—, —C≡C—, NR 13 or O; Y 1 and Y 2 are independently CR 14 or N; Q is —C(═O)—N(R 15 )-z, —C(═S)—N(R 16 )-z, —C(═O)—O-z, —N(R 17 )—C(═O)-z, —N(R 18 )—C(═S)-z, —N(R 19 )—C(═O)—O-z or —N(R 20 )—C(═O)—N(R 21 )-z, in each case z indicates the bond that is connected to R 8 ; n is 1, 2, 3 or 4 when T is —C(R 9 R 10 )—, NR 13 or O; n is 1, 2, 3 when T is —C(R 11 )═C(R 12 )— or —C≡C—; R 1 , R 2 , R 3 , R 4 , R 11 , R 12 and R 14 each independently are hydrogen, halogen, cyano, C 1 -C 4 alkyl, or C 1 -C 4 haloalkyl; R 5 , R 13 , R 15 , R 16 , R 17 , R 18 , R 19 , R 20 and R 21 each independently are hydrogen, C 1 -C 4 alkyl or C 1 -C 4 alkoxy; R 6 and R 7 each independently are hydrogen, halogen, cyano, hydroxy, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 alkylthio, C 1 -C 4 haloalkyl, C 1 -C 4 haloalkoxy, C 1 -C 4 haloalkylthio or together from a carbonyl group (═O); R 9 and R 10 each independently are hydrogen, halogen, cyano, hydroxy, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 alkylthio, C 1 -C 4 haloalkyl, C 1 -C 4 haloalkoxy, C 1 -C 4 haloalkylthio or together form a carbonyl group (═O); and R 8 is phenyl, benzyl or group (a): formula (a) wherein the phenyl, benzyl and group (a) are each optionally substituted with 1 to 3 substituents independently selected from C 1 -C 4 alkyl, C 1 -C 4 haloalkyl, halogen, cyano, hydroxy and amino; or a salt or a N-oxide thereof.

  本发明涉及具有微生物杀灭活性，特别是真菌杀灭活性的式（I）的杂环化合物：式（I）其中G1和G2分别为O或S；T为—C(R9R10)—，—C(R11)═C(R12)—，—C≡C—，NR13或O；Y1和Y2分别为CR14或N；Q为—C(═O)—N(R15)-z，—C(═S)—N(R16)-z，—C(═O)—O-z，—N(R17)—C(═O)-z，—N(R18)—C(═S)-z，—N(R19)—C(═O)—O-z或—N(R20)—C(═O)—N(R21)-z，在每种情况下z表示连接到R8的键；n为1、2、3或4，当T为—C(R9R10)—，NR13或O时；n为1、2、3，当T为—C(R11)═C(R12)—或—C≡C—时；R1、R2、R3、R4、R11、R12和R14各自独立地为氢、卤素、氰基、C1-C4烷基或C1-C4卤代烷基；R5、R13、R15、R16、R17、R18、R19、R20和R21各自独立地为氢、C1-C4烷基或C1-C4烷氧基；R6和R7各自独立地为氢、卤素、氰基、羟基、C1-C4烷基、C1-C4烷氧基、C1-C4烷硫基、C1-C4卤代烷基、C1-C4卤代烷氧基、C1-C4卤代烷硫基或一起形成羰基（═O）；R9和R10各自独立地为氢、卤素、氰基、羟基、C1-C4烷基、C1-C4烷氧基、C1-C4烷硫基、C1-C4卤代烷基、C1-C4卤代烷氧基、C1-C4卤代烷硫基或一起形成羰基（═O）；而R8为苯基、苄基或基团（a）：式（a）其中苯基、苄基和基团（a）可以各自选自C1-C4烷基、C1-C4卤代烷基、卤素、氰基、羟基和氨基的1至3个取代基；或其盐或N-氧化物。