2-甲基-3-(4-吗啉基)苯甲酸 | 886501-40-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 2-甲基-3-(4-吗啉基)苯甲酸
• 英文名称: 2-methyl-3-morphilinobenzoic acid
• 英文别名: 2-methyl-3-morpholinobenzoic acid；2-methyl-3-morpholin-4-ylbenzoic acid
• CAS: 886501-40-2
• 化学式: C₁₂H₁₅NO₃
• 分子量: 221.256
• InChiKey: SYRWDAQJCORHSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-甲基-3-(4-吗啉基)苯甲酸 在 氮 、 ice 、 氯化铵 、 乙酸乙酯 、 水 、 Brine 、 Sodium sulfate-III 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以to give (2-methyl-3-morpholinophenyl)methanol as a crude oil which的产率得到(2-methyl-3-morpholinophenyl)methanol
  参考文献：
  名称：

  Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors

  摘要：

  本发明涉及式（I）的化合物，其中X1至X5，Y，Z1至Z3和R的含义如所述和权利要求中引用的。所述化合物可用作JAK抑制剂，用于治疗或预防免疫、炎症、自身免疫、过敏性疾病和免疫介导的疾病。本发明还涉及包括所述化合物的制药组合物，以及作为药物的使用和制备这些化合物。

  公开号：

  US09242987B2

文献信息

• Monoacylglycerol Lipase Modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US20200102303A1

  公开（公告）日：2020-04-02

  Fused compounds of Formula (I) and Formula (II), pharmaceutical compositions containing them, methods of making them, and methods of using them including methods for treating disease states, disorders, and conditions associated with MGL modulation, such as those associated with pain, psychiatric disorders, neurological disorders (including, but not limited to major depressive disorder, treatment resistant depression, anxious depression, bipolar disorder), cancers and eye conditions. Wherein R 1 , R 2 , R 2a , R 3 , R 3a , R 4 , and R 4a are defined herein.

  化合物的结构式（I）和结构式（II），含有它们的药物组合物，制备它们的方法，以及使用它们的方法，包括用于治疗与MGL调节相关的疾病状态、紊乱和病况的方法，例如与疼痛、精神障碍、神经障碍（包括但不限于重性抑郁障碍、治疗抵抗性抑郁症、焦虑性抑郁症、躁郁症）、癌症和眼部疾病相关的方法。 其中R1、R2、R2a、R3、R3a、R4和R4a在此处定义。
• [EN] HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS<br/>[FR] ANALOGUES D'HÉTÉROCYCLYL PYRAZOLOPYRIMIDINE EN TANT QU'INHIBITEURS DE JAK
  申请人：CELLZOME LTD

  公开号：WO2011048082A1

  公开（公告）日：2011-04-28

  The present invention relates to compounds of formula (I) wherein X1 to X5, Y, Z1 to Z3, and R have the meaning as cited in the description and the claims. Said compounds are useful as JAK inhibitors for the treatment or prophylaxis of immunological, inflammatory, autoimmune, allergic disorders, and immunologically-mediated diseases. The invention also relates to pharmaceutical compositions including said compounds, the preparation of such compounds as well as the use as medicaments.

  本发明涉及式(I)的化合物，其中X1至X5，Y，Z1至Z3和R的含义如描述和权利要求中所述。所述化合物可用作JAK抑制剂，用于治疗或预防免疫、炎症、自身免疫、过敏性疾病和免疫介导性疾病。该发明还涉及包括所述化合物的药物组合物，以及制备这类化合物以及用作药物的用途。
• [EN] ARYL SULFONIC ACIDS AND DERIVATIVES AS FSH ANTAGONISTS<br/>[FR] ACIDES SULFONIQUES ARYLES ET DERIVES TELS QUE LES ANTAGONISTES FSH
  申请人：AMERICAN HOME PROD

  公开号：WO2000058277A1

  公开（公告）日：2000-10-05

  This invention provides compounds of formula (I) having the structure wherein Q is hydrogen or -SO2R1; X is a bond, O, S(O)¿n?, -CH=CH-, -CH2CH2-, -C C-, or -CH2S(O)nCH2-; R?1¿ is OH, NH¿2?, C1 to C6 alkoxy, C1 to C3 perfluoroalkoxy; Ar is (a) or (b); Ar' is (c) or (d); R?2 and R4¿ are each, independently, hydrogen, OR6, -S(O)¿m?R?6, -NHR6, -N(R6)¿2, or -CH2SO2CH3; R?3 and R5¿ are each, independently, hydrogen, -NO¿2?, -NH2, -SO2R?9¿, or -CH¿2R?9; R6 is hydrogen, C¿1? to C6 alkyl, C3 to C6 alkenyl, -CH2CH2Z, -CH2COR?7, -CH¿2CH=CHCOR7, (e), (f) or (g); Y¿1? and Y?3¿ are each, independently, N, or CH; Y?2 and Y4¿ are each independently, O, S, or NR?13; R7 is -OR8, -NHR8, -N(R8)¿2, or -NHCH2CH2OR8; Z is -OR¿8?, -OCH2CH2OR?8, -N(R8)¿2, or (h); R8 is hydrogen or C1 to C3 alkyl; R9 is C1 to C6 alkyl, C3 to C6 alkenyl, OH, NHR?10, N(R10)¿2, CH2COR11, -CH2CH=CHCOR11, or (i); R10 is C1 to C3 alkyl, C3 to C4 alkenyl, phenyl, -CH2CH2OCH3, or -(j); R?11 is -OR12, -NHR12, -N(R12)¿2, or -NHCH2CH2OR12; R12 is hydrogen, or C¿1? to C3 alkyl; R?13¿ is hydrogen, or C¿1? to C3 alkyl; W is a bond, CH2, CH2CH2, O, S(O)q, NCHO, NCOCH3, or NR?12¿; m is 0 - 2; n is 0 - 2; q is 0 - 2, with the proviso that R?2 and R3¿ are not both hydrogen; or pharmaceutically acceptable salt thereof, which are useful as contraceptive agents.

  本发明提供了具有结构式(I)的化合物，其中Q为氢或-SO2R1; X为键，O，S(O)n，-CH=CH-，- -，-CC-或-CH2S(O)n -; R1为OH，NH2，C1到C6烷氧基，C1到C3全氟烷氧基; Ar为(a)或(b); Ar'为(c)或(d); R2和R4分别独立地为氢，OR6，-S(O)mR6，-NHR6，-N(R6)2或- O2CH3; R3和R5独立地为氢，-NO2，-NH2，-SO2R9或- R9; R6为氢，C1到C6烷基，C3到C6烯基，- Z，- COR7，- CH=CHCOR7，(e)，(f)或(g); Y1和Y3独立地为N或CH; Y2和Y4独立地为O，S或NR13; R7为-OR8，-NHR8，-N(R8)2或-NH OR8; Z为-OR8，-O OR8，-N(R8)2或(h); R8为氢或C1到C3烷基; R9为C1到C6烷基，C3到C6烯基，OH，NHR10，N(R10)2， COR11，- CH=CHCOR11或(i); R10为C1到C3烷基，C3到C4烯基，苯基，- OCH3或-(j); R11为-OR12，-NHR12，-N(R12)2或-NH OR12; R12为氢或C1到C3烷基; R13为氢或C1到C3烷基; W为键，CH2， ，O，S(O)q，NCHO，NCOCH3或NR12; m为0-2; n为0-2; q为0-2，但R2和R3不能同时为氢; 或其药学上可接受的盐，其作为避孕剂有用。
• Aryl sulfonic acids and derivatives as FSH antagonists
  申请人：American Home Products Corporation

  公开号：US20020111369A1

  公开（公告）日：2002-08-15

  This invention provides compounds of formula I having the structure 1 wherein Q is hydrogen or —SO 2 R 1 ; X is a bond, O, S(O) n , —CH═CH—, —CH 2 CH 2 —, —C≡C—, or —CH 2 S(O) n CH 2 —; R 1 is OH, NH 2 , C 1 to C 6 alkoxy, C 1 to C 3 perfluoroalkoxy; 2 R 2 and R 4 are each, independently, hydrogen, OR 6 , —S(O) m R 6 , —NHR 6 , —N(R 6 ) 2 , or —CH 2 SO 2 CH 3 ; R 3 and R 5 are each, independently, hydrogen, —NO 2 , —NH 2 , —SO 2 R 9 , or —CH 2 R 9 ; R 6 is hydrogen, C 1 to C 6 alkyl, C 3 to C 6 alkenyl, —CH 2 CH 2 Z, —CH 2 COR 7 , —CH 2 CH═CHCOR 7 3 Y 1 and Y 3 are each, independently, N, or CH; Y 2 and Y 4 are each independently, O, S, or NR 13 ; R 7 is —OR 8 , —NHR 8 , —N(R 8 ) 2 , or —NHCH 2 CH 2 OR 8 ; Z is —OR 8 , —OCH 2 CH 2 OR 8 , —N(R 8 ) 2 , or 4 R 8 is hydrogen, or C 1 to C 3 alkyl; R 9 is C 1 to C 6 alkyl, C 3 to C 6 alkenyl, OH, NHR 10 , N(R 10 ) 2 , CH 2 COR 11 , —CH 2 CH═CHCOR 11 , or 5 R 10 is C 1 to C 3 alkyl, C 3 to C 4 alkenyl, phenyl, —CH 2 CH 2 OCH 3 , or 6 R 11 is —OR 12 , NHR 12 , —N(R 12 ) 2 , or —NHCH 2 CH 2 OR 12 ; R 12 is hydrogen, or C 1 to C 3 alkyl; R 13 is hydrogen, or C 1 to C 3 alkyl; W is a bond, CH 2 , CH 2 CH 2 , O, S(O) q , NCHO, NCOCH 3 , or NR 12 ; m is 0-2; n is 0-2; q is 0-2, with the proviso that R 2 and R 3 are not both hydrogen; or pharmaceutically acceptable salt thereof, which are useful as contraceptive agents.

  本发明提供了式I的化合物，其具有结构1， 其中， Q为氢或—SO2R1； X为键合，O，S(O)n，—CH═CH—，— —，—C≡C—或—CH2S(O)n —； R1为OH，NH2，C1到C6烷氧基，C1到C3全氟烷氧基； R2和R4各自独立地为氢，OR6，—S(O)mR6，—NHR6，—N(R6)2或— O2CH3； R3和R5各自独立地为氢，—NO2，—NH2，—SO2R9或— R9； R6为氢，C1到C6烷基，C3到C6烯基，— Z，— COR7，— CH═CHCOR73； Y1和Y3各自独立地为N或CH； Y2和Y4各自独立地为O，S或NR13； R7为—OR8，—NHR8，—N(R8)2或—NH OR8； Z为—OR8，—O OR8，—N(R8)2或 4 R8为氢或C1到C3烷基； R9为C1到C6烷基，C3到C6烯基，OH，NHR10，N(R10)2， COR11，— CH═CHCOR11或 5 R10为C1到C3烷基，C3到C4烯基，苯基，— OCH3或 6 R11为—OR12，NHR12，—N(R12)2或—NH OR12； R12为氢或C1到C3烷基； R13为氢或C1到C3烷基； W为键合，CH2， ，O，S(O)q，NCHO，NCOCH3或NR12； m为0-2； n为0-2； q为0-2； 但R2和R3不能同时为氢； 或其药学上可接受的盐，其作为避孕剂具有用途。
• Transition-metal-catalyzed carbon-nitrogen bond-forming methods using carbene ligands
  申请人：——

  公开号：US20040044250A1

  公开（公告）日：2004-03-04

  The present invention relates to a process for the preparation of N-aryl amine and N-aryl amide compounds. Generally, the process of the present invention involves reacting a compound having a primary or secondary amino or amido group with an arylating compound, in the presence of a weak base and a transition metal catalyst, under reaction conditions effective to form an N-aryl amine or N-aryl amide compound, the transition metal catalyst comprising a Group 8 metal, e.g., Ni, Pd, or Pt, and at least one carbene-containing ligand. Typically, the transition metal catalyst is formed in a preceding step from the conjugate acid form of the carbene ligand, a stoichiometric amount of a strong base, and a Group 8 metal atom or ion.

  本发明涉及一种制备N-芳基胺和N-芳基酰胺化合物的方法。一般来说，本发明的方法涉及在弱碱和过渡金属催化剂的存在下，将具有一级或二级氨基或酰胺基的化合物与芳基化合物反应，形成N-芳基胺或N-芳基酰胺化合物的反应条件有效。过渡金属催化剂包括第8族金属，例如Ni、Pd或Pt，以及至少一个含卡宾的配体。通常，过渡金属催化剂是在前一步中由卡宾配体的共轭酸形式、一定量的强碱和第8族金属原子或离子形成的。