N-(2-羟基-1,1-二甲基乙基)-2,6-二氟苯甲酰胺 | 150079-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(2-羟基-1,1-二甲基乙基)-2,6-二氟苯甲酰胺
• 英文名称: 2,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
• 英文别名: N-(2-hydroxy-1,1-dimethylethyl)-2,6-difluorobenzamide；N-(1,1-dimethyl-2-hydroxyethyl)-2,6-difluorobenzamide；2,6-difluoro-N-(2-hydroxy-1,1-dimethyl-ethyl)-benzamide
• CAS: 150079-31-5
• 化学式: C₁₁H₁₃F₂NO₂
• mdl: MFCD12180039
• 分子量: 229.227
• InChiKey: QWCOVJAVTCLFPO-UHFFFAOYSA-N

物化性质

• 沸点：
  320.1±42.0 °C(Predicted)
• 密度：
  1.237±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(2-羟基-1,1-二甲基乙基)-2,6-二氟苯甲酰胺 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 2-(2,6-二氟苯基)-4,4-二甲基-5H-1,3-间唑
  参考文献：
  名称：

  [EN] DEUTERATED COMPOUNDS AS IMMUNOMODULATORS
  [FR] COMPOSÉS DEUTÉRÉS UTILISÉS COMME IMMUNOMODULATEURS

  摘要：

  本发明提供了用于调节C5a受体的化合物。这些化合物具有以下式（I），包括立体异构体和其药学上可接受的盐，其中R1、R2和R3如本文所定义。还公开了与制备和使用这些化合物相关的方法，以及包含这些化合物的药物组合物。

  公开号：

  WO2019089468A1
• 作为产物：
  描述：

  2-氨基-2-甲基-1-丙醇 、 2,6-二氟苯甲酰氯 在 氮气 、 二氯甲烷 、 magnesium sulfate 、 hexanes 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 16.0h， 以afforded 12.05 g (93%) of the amide的产率得到N-(2-羟基-1,1-二甲基乙基)-2,6-二氟苯甲酰胺
  参考文献：
  名称：

  Inhibitors of cytosolic phospholipase A2

  摘要：

  本发明提供了化学抑制剂，用于抑制各种磷脂酶酶活性，特别是胞质磷脂酶A2酶（cPLA2），更具体地包括胞质磷脂酶A2α酶（cPLA2α）的抑制剂。在某些实施例中，抑制剂具有公式I：其中组成变量如本文所定义。

  公开号：

  US07557135B2

文献信息

• Fungicides for the control of take-all disease of plants
  申请人：Monsanto Company

  公开号：US20010046975A1

  公开（公告）日：2001-11-29

  A method of controlling Take-all disease of plants by applying, preferably to the seed prior to planting, a fungicide of the formula 1 wherein Z 1 and Z 2 are C or N and are part of an aromatic ring selected from benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole, and isothiazole; A is selected from —C(X)-amine, —C(O)—SR 3 , —NH—C(X)R 4 , and —C(═NR )—XR 7 ; B is —W m —Q(R 2 ) 3 or selected from o-tolyl, 1-naphthyl, 2-naphthyl, and 9-phenanthryl, each optionally substituted with halogen or R 4 ; Q is C, Si, Ge, or Sn; W is —C(R 3 ) p H (2-p) —; or when Q is C, W is selected from —C(R 3 ) p H (2-p) —, —N(R 3 ) m H (1-m) —, —S(O) p —, and —O—; X is O or S; n is 0, 1, 2, or 3; m is 0 or 1; p is 0, 1, or 2; each R is independently selected from a) halo, formyl, cyano, amino, nitro, thiocyanato, isothiocyanato, trimethylsilyl, and hydroxy; b) C1-C4 alkyl, alkenyl, alkynyl, C3-C6 cycloalkyl, and cycloalkenyl, each optionally substituted with halo, hydroxy, thio, amino, nitro, cyano, formyl, phenyl, C1-C4 alkoxy, alkylcarbonyl, alkylthio, alkylamino, dialkylamino, alkoxycarbonyl, (alkylthio)carbonyl, alkylaminocarbonyl, dialkylaminocarbonyl, alkylsulfinyl, or alkylsulfonyl; c) phenyl, furyl, thienyl, pyrrolyl, each optionally substituted with halo, formyl, cyano, amino, nitro, C1-C4 alkyl, alkenyl, alkynyl, alkoxy, alkylthio, alkylamino, dialkylamino, haloalkyl, and haloalkenyl; d) C1-C4 alkoxy, alkenoxy, alkynoxy, C3-C6 cycloalkyloxy, cycloalkenyloxy, alkylthio, alkylsulfinyl, alkylsulfonyl, alkylamino, dialkylamino, alkylcarbonylamino, aminocarbonyl, alkylaminocarbonyl, dialkylaminocarbonyl, alkylcarbonyl, alkylcarbonyloxy, alkoxycarbonyl, (alkylthio)carbonyl, phenylcarbonylamino, phenylamino, each optionally substituted with halo; wherein two R groups may be combined to form a fused ring; each R 2 is independently selected from alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl and phenyl, each optionally substituted with R 4 or halogen; and wherein, when Q is C, R 2 may also be selected from halo, alkoxy, alkylthio, alkylamino, and dialkylamino; wherein two R 2 groups may be combined to form a cyclo group with Q; R 3 is C1-C4 alkyl; R 4 is C1-C4 alkyl, haloalkyl, alkoxy, alkylthio, alkylamino, or dialkylamino; and R 7 is C1-C4 alkyl, haloalkyl, or phenyl, optionally substituted with halo, nitro, or R 4 ; or an agronomic salt thereof.

  通过在种子播种前，优选地向种子施用公式1的杀菌剂来控制植物的扁腐病，其中Z1和Z2是C或N，是从苯，吡啶，噻吩，呋喃，吡咯，吡唑，噻唑和异噻唑中选择的芳香环的一部分；A是从—C（X）-胺，—C（O）—SR3，—NH—C（X）R4和—C（═NR）—XR7中选择的；B是—Wm—Q（R2）3或从o-甲苯基，1-萘基，2-萘基和9-菲基中选择的，每个都可以用卤素或R4取代；Q是C，Si，Ge或Sn；W是—C（R3）pH（2-p）—；或当Q是C时，W从—C（R3）pH（2-p）—，—N（R3）mH（1-m）—，—S（O）p—和—O—中选择；X是O或S；n是0，1，2或3；m是0或1；p是0，1或2；每个R是独立选择的，从a）卤素，酰基，氰基，氨基，硝基，硫氰酸基，异硫氰酸基，三甲基硅基和羟基中选择；b）C1-C4烷基，烯基，炔基，C3-C6环烷基和环烯基，每个都可以用卤素，羟基，硫，氨基，硝基，氰基，酰基，苯基，C1-C4烷氧基，烷基羰基，烷基硫基，烷基氨基，二烷基氨基，烷氧羰基，（烷硫）羰基，烷基氨基羰基，二烷基氨基羰基，烷基亚砜基或烷基磺酰基取代；c）苯基，呋喃基，噻吩基，吡咯基，每个都可以用卤素，酰基，氰基，氨基，硝基，C1-C4烷基，烯基，炔基，烷氧基，烷基硫基，烷基氨基，二烷基氨基，卤代烷基和卤代烯基取代；d）C1-C4烷氧基，烯氧基，炔氧基，C3-C6环烷氧基，环烯氧基，烷基硫基，烷基亚砜基，烷基磺酰基，烷基氨基，二烷基氨基，烷基羰基氨基，氨基羰基，烷基氨基羰基，二烷基氨基羰基，烷基羰基，烷基羰氧基，烷氧羰基，（烷硫）羰基，苯基羰基氨基，苯基氨基，每个都可以用卤素取代；其中两个R基可以结合形成融合环；每个R2是独立选择的，从烷基，烯基，炔基，环烷基，环烯基和苯基中选择，每个都可以用R4或卤素取代；当Q为C时，R2还可以选择自卤素，烷氧基，烷基硫基，烷基氨基和二烷基氨基；其中两个R2基可以结合形成带有Q的环；R3是C1-C4烷基；R4是C1-C4烷基，卤代烷基，烷氧基，烷基硫基，烷基氨基或二烷基氨基；R7是C1-C4烷基，卤代烷基或苯基，可以选择自卤素，硝基或R4取代；或其农学盐。
• Amide derivative
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：US20020147204A1

  公开（公告）日：2002-10-10

  A compound of the formula: 1 wherein Ar is optionally substituted phenyl, etc.; n is 0, 1 or 2; R 1 is hydogen atom, optionally substituted alkyl, etc.; R 2 and R 3 are independently optionally substituted alkyl, etc.; R 4 and R 5 are independently hydrogen atom or optionally substituted alkyl; R 6 is hydrogen atom, hydroxy or alkyl; or a pharmaceutically acceptable salt thereof is useful as a medicament for treating retinal degenerative disorders and the like.

  公式1的化合物：其中Ar是可选取代的苯基等；n为0、1或2；R1为氢原子、可选取代的烷基等；R2和R3分别为可选取代的烷基等；R4和R5分别为氢原子或可选取代的烷基；R6为氢原子、羟基或烷基；或其药学上可接受的盐，用于治疗视网膜退行性疾病等。
• Derivatives of n-(1h-indazolyl)-and n-(1h-indolyl)-urea as well as related compounds as modulators of the vanilloid-1 receptor (vr1) for treatment of pain
  申请人：Fletcher Robert Stephen

  公开号：US20070078156A1

  公开（公告）日：2007-04-05

  Compounds of formula (I): wherein A, B and D are each C, N, O or S; E is C or N; the dotted circle within the five-membered ring indicates that the ring may be unsaturated or partially saturated; R 1 is halogen, hydroxy, C 1-6 alkyl, haloC 1-6 alkyl, hydroxyC 1-6 alkyl, C 1-6 alkoxy, halo C 1-6 alkoxy, hydroxyC 1-6 alkoxy, C 3-7 cycloalkyl, C 3-5 cycloalkylC 1-4 alkyl, NR 7 R 8 , C 1-6 alkyl substituted with NR 7 R 8 , C, 1-6 alkoxy substituted with NR 7 R 8 , oxo, cyano, SO 2 NR 7 R 8 , CONR 7 R 8 , NHCOR 9 or NHSO 2 R 9 ; R 2 is halogen, hydroxy, C 1-6 alkyl, halo C 1-6 alkyl, hydroxyC 1-6 alkyl, C 1-6 alkoxy, halo C 1-6 alkoxy, hydroxyC 1-6 alkoxy, C 3-7 cycloalkyl, C 3-5 cycloalkylC 1-4 alkyl, NR 7 R 8 , C 1-6 alkyl substituted with NR 7 R 8 , C 1-6 , alkoxy substituted with NR 7 R 8 , cyano, SON 2 R 7 R 8 , CONR 7 R 8 , NHCOR 9 , or NHSO 2 R 9 ; R 3 and R 4 are each independently hydrogen, C 1-6 , alkyl, phenyl or halophenyl; R 5 and R 6 are, at each occurrence, independently hydrogen, C 1-6 alkyl, phenyl, halophenyl or carboxy; X is an oxygen or sulfur atom; Y is an aryl, heteroaryl, carbocyclyl or fused-carbocyclyl group; n is either zero or an integer from 1 to 3; p is either zero or an integer from, 1 to 4; and q is either zero or an integer from 1 to 3; the other substituents are defined in claim 1; are useful as therapeutic compounds, particularly in the treatment of pain and other conditions ameliorated by the modulation of the function of the vanilloid-1 receptor (VR1).

  式(I)的化合物：其中A、B和D分别为C、N、O或S；E为C或N；五元环内的点圈表示该环可能不饱和或部分饱和；R1为卤素、羟基、C1-6烷基、卤代C1-6烷基、羟基C1-6烷基、C1-6烷氧基、卤代C1-6烷氧基、羟基C1-6烷氧基、C3-7环烷基、C3-5环烷基C1-4烷基、NR7R8、C1-6烷基取代的NR7R8、C1-6烷氧基取代的NR7R8、氧代、氰基、SO2NR7R8、CONR7R8、NHCOR9或NHSO2R9；R2为卤素、羟基、C1-6烷基、卤代C1-6烷基、羟基C1-6烷基、C1-6烷氧基、卤代C1-6烷氧基、羟基C1-6烷氧基、C3-7环烷基、C3-5环烷基C1-4烷基、NR7R8、C1-6烷基取代的NR7R8、C1-6烷氧基取代的NR7R8、氰基、SON2R7R8、CONR7R8、NHCOR9或NHSO2R9；R3和R4分别独立地为氢、C1-6烷基、苯基或卤代苯基；R5和R6在每次出现时独立地为氢、C1-6烷基、苯基、卤代苯基或羧基；X为氧或硫原子；Y为芳基、杂芳基、碳环基或融合碳环基基团；n为零或1至3的整数；p为零或1至4的整数；q为零或1至3的整数；其他取代基在权利要求中定义；在治疗疼痛和其他通过调节vanilloid-1受体（VR1）功能改善的疾病中特别有用的治疗化合物。
• Inhibitors of cytosolic phospholipase A2
  申请人：McKew C. John

  公开号：US20070004719A1

  公开（公告）日：2007-01-04

  This invention provides chemical inhibitors of the activity of various phospholipase enzymes, particularly cytosolic phospholipase A 2 enzymes (cPLA 2 ), more particularly including inhibitors of cytosolic phospholipase A 2 alpha enzymes (cPLA 2 α). In some embodiments, the inhibitors have the Formula I: wherein the constituent variables are as defined herein.

  该发明提供了化学抑制剂，用于抑制各种磷脂酶酶活性，特别是细胞质磷脂酶A2酶（cPLA2），更特别地包括细胞质磷脂酶A2α酶（cPLA2α）的抑制剂。在某些实施例中，抑制剂具有公式I，其中组成变量如本文所定义。
• Inhibitors of Cytosolic Phospholipase A2
  申请人：McKew John C.

  公开号：US20100022536A1

  公开（公告）日：2010-01-28

  This invention provides chemical inhibitors of the activity of various phospholipase enzymes, particularly cytosolic phospholipase A 2 enzymes (cPLA 2 ), more particularly including inhibitors of cytosolic phospholipase A 2 alpha enzymes (cPLA 2 α). In some embodiments, the inhibitors have the Formula I: wherein the constituent variables are as defined herein.

  该发明提供了化学抑制剂，用于抑制各种磷脂酶酶的活性，特别是细胞质磷脂酶A2酶（cPLA2），更特别地包括细胞质磷脂酶A2α酶（cPLA2α）的抑制剂。在某些实施例中，抑制剂具有公式I：其中组分变量如此处所定义。