氮杂环庚-1-基-(3-甲基苯基)甲酮 | 20308-68-3

• 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: 氮杂环庚-1-基-(3-甲基苯基)甲酮
• 英文名称: Azepan-1-yl(3-methylphenyl)methanone
• 英文别名: azepan-1-yl-(3-methylphenyl)methanone
• CAS: 20308-68-3
• 化学式: C₁₄H₁₉NO
• mdl: MFCD00589363
• 分子量: 217.31
• InChiKey: SSWODRVIEQMLGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• BIPYRIDYL COMPOUND
  申请人：JAPAN SCIENCE AND TECHNOLOGY AGENCY

  公开号：US20170001960A1

  公开（公告）日：2017-01-05

  There are provided a compound capable of being a novel ligand allowing regioselective borylation to be performed in the aromatic borylation reaction, and a catalyst using the same compound. There is provided a bipyridyl compound represented by a general formula ( 1 ): (wherein A represents a single bond, a vinylene group or an ethynylene group; X represents an oxygen atom or a sulfur atom; n pieces of R 1 may be the same or different, and R 1 represents a hydrogen atom, a halogen atom, an optionally substituted hydrocarbon group, an optionally substituted alkoxy group, an optionally substituted aryloxy group, an optionally substituted amino group, a cyano group, a nitro group, or an alkoxycarbonyl group, or two adjacent R 1 may form a saturated or unsaturated ring structure optionally containing a hetero atom together with the carbon atoms bonded to the two R 1 ; R 2 represents a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted alkoxy group, or an optionally substituted aryloxy group; and n represents a number of 1 to 4 ).

  提供了一种化合物，可以作为一种新型配体，在芳基硼化反应中实现区域选择性硼化，并提供了使用该化合物的催化剂。提供了一种由通式（1）表示的双吡啶化合物：（其中A代表单键、乙烯基或乙炔基；X代表氧原子或硫原子；n个R1可能相同或不同，R1代表氢原子、卤素原子、可选择取代的碳氢基团、可选择取代的烷氧基团、可选择取代的芳氧基团、可选择取代的氨基团、氰基、亚硝基或烷氧羰基，或者两个相邻的R1可能形成一个饱和或不饱和环结构，该环结构与两个R1键合的碳原子一起可能含有一个杂原子；R2代表氢原子、可选择取代的碳氢基团、可选择取代的烷氧基团或可选择取代的芳氧基团；n代表1到4的数字）。
• PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES
  申请人：Akebia Therapeutics, Inc.

  公开号：US20150361043A1

  公开（公告）日：2015-12-17

  Disclosed are processes for preparing [(3-hydroxypyridine-2-carbonyl)amino]-alkanoic acids, derivatives, inter alia, 5-aryl substituted and 5-heteroaryl substituted [(3-hydroxypyridine-2-carbonyl]amino}acetic acids. Further disclosed are methods for making prodrugs of [(3-hydroxypyridine-2-carbonyl)-amino]acetic acids, for example, [(3-hydroxypyridine-2-carbonyl]amino}acetic acid esters and [3-hydroxypyridine-2-carbonyl]amino}acetic acid amides. The disclosed compounds are useful as prolyl hydroxylase inhibitors or for treating conditions wherein prolyl hydroxylase inhibition is desired.

  本发明涉及制备[(3-羟基吡啶-2-羧基)氨基]-烷基酸，其衍生物，包括5-芳基取代和5-杂环芳基取代的[(3-羟基吡啶-2-羧基)氨基]乙酸。此外，还公开了制备[(3-羟基吡啶-2-羧基)氨基]乙酸的前药的方法，例如[(3-羟基吡啶-2-羧基)氨基]乙酸酯和[3-羟基吡啶-2-羧基]氨基}乙酸酰胺。所公开的化合物可用作脯氨酸羟化酶抑制剂或用于治疗需要脯氨酸羟化酶抑制的疾病。
• NOVEL ADENINE COMPOUND AND USE THEREOF
  申请人：ISOBE Yoshiaki

  公开号：US20120178743A1

  公开（公告）日：2012-07-12

  An antiallergic agent for topical administration containing an adenine compound of general formula (1): [wherein ring A represents a 6 to 10 membered, mono or bicyclic, aromatic hydrocarbon or a 5 to 10 membered, mono or bicyclic, aromatic heterocycle containing one to three heteroatoms selected among 0 to 2 nitrogen atoms, 0 or 1 oxygen atom, and 0 or 1 sulfur atom; n is an integer of 0 to 2; m is an integer of 0 to 2; R represents halogeno, (un)substituted alkyl, etc.; X 1 represents oxygen, sulfur, NR 1 (R 1 represents hydrogen or alkyl), or a single bond; Y 1 represents a single bond, alkylene, etc.; Y 2 represents a single bond, alkylene, etc.; Z represents alkylene; and at least one of Q 1 and Q 2 represents —COOR 10 (wherein R 10 represents (un)substituted alkyl, etc.), etc.] or a pharmaceutically acceptable salt of the compound.

  一种用于局部给药的抗过敏剂，包含一种通式（1）的腺嘌呤化合物：[其中环A代表一个6到10个成员的单环或双环芳香烃或一个5到10个成员的单环或双环芳香杂环，其中包含1到3个杂原子，选择自0到2个氮原子，0或1个氧原子和0或1个硫原子；n是0到2的整数；m是0到2的整数；R代表卤素，（未）取代的烷基等；X1代表氧，硫，NR1（R1代表氢或烷基）或单键；Y1代表单键，亚烷基等；Y2代表单键，亚烷基等；Z代表亚烷基；且Q1和Q2中的至少一个代表—COOR10（其中R10代表（未）取代的烷基等），等的药学上可接受的盐。
• 5-((HALOPHENYL)-3-HALO-PYRIDIN-2-YL)-NITRILE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF [(5-(HALOPHENYL)-3-HYDROXYPYRIDINE-2-CARBONYL)-AMINO]ALKANOIC ACID DERIVATIVES
  申请人：Akebia Therapeutics Inc.

  公开号：EP3290404A1

  公开（公告）日：2018-03-07

  The present invention relates to 5-((halophenyl)-3-halo-pyridin-2-yl)-nitril derivatives used as intermediates in the preparation of [(5-(halophenyl)-3-hydroxypyridine-2-carbonyl)-amino]alkanoic acids. The final compounds are prodrugs of prolyl hydroxylase inhibitors.

  本发明涉及用作制备[(5-(卤苯基)-3-羟基吡啶-2-羰基)-氨基]烷酸的中间体的 5-((卤苯基)-3-卤吡啶-2-基)-nitril 衍生物。最终化合物是脯氨酰羟化酶抑制剂的原药。
• PROCESS FOR PREPARING [(5-(3-CHLOROPHENYL)-3-HYDROXYPYRIDINE-2-CARBONYL)-AMINO]ACETIC ACID FROM 5-((3-CHLOROPHENYL)-3-CHLORO-PYRIDIN-2-YL)-NITRILE, AND PROCESS FOR PREPARING 5-((HALOPHENYL)-3-HALO-PYRIDIN-2-YL)-NITRILE DERIVATIVES
  申请人：Akebia Therapeutics Inc.

  公开号：EP3683209A1

  公开（公告）日：2020-07-22

  A process for preparing compound (5): comprising: A. reacting (3-chlorophenyl)boronic acid: with 3,5-dichloro-2-cyanopyridine: in the presence of [1,1'-bis (diphenylphosphino)ferrocene]dichloro palladium(II) and K2 CO3 in DMF at 45C° to form 5-(3-chlorophenyl)-3 -chloro-2-cyanopyridine: B. reacting 5-(3-chlorophenyl)-3-chloro-2-cyanopyridine with sodium methoxide in methanol at reflux to form 5-(3-chlorophenyl)-3-methoxy-2-cyanopyridine: C. reacting 5-(3-chlorophenyl)-3-methoxy-2-cyanopyridine with 48% hydrobromic acid at reflux to form 5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid: D. reacting 5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid with glycine methyl ester: in the presence of CDI and DIPEA in DMSO at room temperature to form methyl [5-(3-chlorophenyl)-3-hydroxypyridin-2-yl]amino}acetate: E. reacting methyl [5-(3-chlorophenyl)-3-hydroxypyridin-2-yl]amino}acetate with sodium hydroxide in THF to form compound (5):

  一种制备化合物(5)的工艺： 包括： A. (3-氯苯基)硼酸与 3,5-二氯-2-氰基吡啶反应： 与 3,5-二氯-2-氰基吡啶反应： 在[1,1'-双(二苯基膦)二茂铁]二氯钯(II)和 K2 CO3 的存在下，于 45C° 在 DMF 中反应生成 5-(3-氯苯基)-3-氯-2-氰基吡啶： B. 将 5-(3-氯苯基)-3-氯-2-氰基吡啶与甲醇中的甲醇钠在回流条件下反应，生成 5-(3-氯苯基)-3-甲氧基-2-氰基吡啶： C. 将 5-(3-氯苯基)-3-甲氧基-2-氰基吡啶与 48%的氢溴酸在回流条件下反应，生成 5-(3-氯苯基)-3-羟基吡啶-2-羧酸： D. 5-(3-氯苯基)-3-羟基吡啶-2-羧酸与甘氨酸甲酯反应： 在 CDI 和 DIPEA 的存在下，于室温在二甲基亚砜中反应生成[5-(3-氯苯基)-3-羟基吡啶-2-基]氨基}乙酸甲酯： E. 将[5-(3-氯苯基)-3-羟基吡啶-2-基]氨基}乙酸甲酯与氢氧化钠在 THF 中反应生成化合物 (5)：