methanesulfonic acid 4'-formyl-biphenyl-2-yl methyl ester | 1228594-42-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methanesulfonic acid 4'-formyl-biphenyl-2-yl methyl ester
• 英文别名: 2a(2)-[[(Methylsulfonyl)oxy]methyl][1,1a(2)-biphenyl]-4-carboxaldehyde；[2-(4-formylphenyl)phenyl]methyl methanesulfonate
• CAS: 1228594-42-0
• 化学式: C₁₅H₁₄O₄S
• 分子量: 290.34
• InChiKey: YGTIHCKQQSMOCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  吗啉 、 methanesulfonic acid 4'-formyl-biphenyl-2-yl methyl ester 以 1,4-二氧六环 为溶剂， 反应 6.0h， 生成 2'-morpholin-4-ylmethyl-biphenyl-4-carbaldehyde
  参考文献：
  名称：

  1-(BIPHENYL-4-YLMETHYL)IMIDAZOLIDINE-2,4-DIONE

  摘要：

  该发明涉及具有通式I的1-(联苯基-4-基甲基)咪唑烷二酮衍生物，其中R1为H，(C1-6)烷基（可选地取代为氧代、OR4、COOR5、卤素或CN），(C2-6)烯基，(C2-6)炔基，(C3-6)环烷基或(C3-6)环烷基(C1-3)烷基；R2和R2'独立地为H或(C1-3)烷基；或R2和R2'与它们连接的碳原子一起形成一个(C3-5)环烷基基团；R3代表H或1至4个F取代基；Y代表或NR8R9；X代表CHR6，CF2，O，S，SO或SO2；R4和R5为(C1-6)烷基；R6为H，OR7或CN；R7为(C1-3)烷基；R8为含有来自O、S、SO和SO2的杂原子的(C5-7)环烷基；R9为H或(C1-4)烷基；o和m表示取代基Y-CH2的邻位或间位；或其药学上可接受的盐；以及所述1-(联苯基-4-基甲基)咪唑烷二酮衍生物在治疗疼痛方面的应用，例如围手术期疼痛、慢性疼痛、神经痛、癌症疼痛以及与多发性硬化症相关的疼痛和痉挛。

  公开号：

  US20100144723A1
• 作为产物：
  描述：

  2'-(羟甲基)-[1,1'-联苯]-4-甲醛 、 甲基磺酰氯 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.17h， 生成 methanesulfonic acid 4'-formyl-biphenyl-2-yl methyl ester
  参考文献：
  名称：

  1-(BIPHENYL-4-YLMETHYL)IMIDAZOLIDINE-2,4-DIONE

  摘要：

  该发明涉及具有通式I的1-(联苯基-4-基甲基)咪唑烷二酮衍生物，其中R1为H，(C1-6)烷基（可选地取代为氧代、OR4、COOR5、卤素或CN），(C2-6)烯基，(C2-6)炔基，(C3-6)环烷基或(C3-6)环烷基(C1-3)烷基；R2和R2'独立地为H或(C1-3)烷基；或R2和R2'与它们连接的碳原子一起形成一个(C3-5)环烷基基团；R3代表H或1至4个F取代基；Y代表或NR8R9；X代表CHR6，CF2，O，S，SO或SO2；R4和R5为(C1-6)烷基；R6为H，OR7或CN；R7为(C1-3)烷基；R8为含有来自O、S、SO和SO2的杂原子的(C5-7)环烷基；R9为H或(C1-4)烷基；o和m表示取代基Y-CH2的邻位或间位；或其药学上可接受的盐；以及所述1-(联苯基-4-基甲基)咪唑烷二酮衍生物在治疗疼痛方面的应用，例如围手术期疼痛、慢性疼痛、神经痛、癌症疼痛以及与多发性硬化症相关的疼痛和痉挛。

  公开号：

  US20100144723A1

文献信息

• 1- (BIPHENYL-4-YLMETHYL) IMIDAZOLIDINE-2, 4-DIONE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR AGONISTS
  申请人：N.V. Organon

  公开号：EP2373627A1

  公开（公告）日：2011-10-12
• US7960560B2
  申请人：——

  公开号：US7960560B2

  公开（公告）日：2011-06-14
• [EN] 1- (BIPHENYL-4-YLMETHYL) IMIDAZOLIDINE-2, 4-DIONE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR AGONISTS<br/>[FR] DÉRIVÉS DE 1-(BIPHÉNYL-4-YLMÉTHYL)IMIDAZOLIDINE-2,4-DIONE ET LEUR EMPLOI EN TANT QU'AGONISTES DE RÉCEPTEUR CB2
  申请人：ORGANON NV

  公开号：WO2010063721A1

  公开（公告）日：2010-06-10

  The invention relates to A 1 -(biphenyl-4-ylmethyl)imidazolidine-2,4-dione derivative having the general Formula (I) wherein R1 is H, (C1-6)alkyl (optionally substituted with oxo, OR4, COOR5, halogen or CN), (C2-6)alkenyl, (C2-6)alkynyl, (C3-6)cycloalkyl or (C3-6)cycloalkyl(C1-3)alkyl; R2 and R2' are independently H or (C1-3)alkyl; or R2 and R2' form together with the carbon atom to which they are bound a (C3-5)cycloalkyl group;R3 represents H or 1 to 4 F substituents; Y represents Formula (II) or NR8R9; X represents CHR6, CF2, O, S, SO or SO2; R4 and R5 are (C1-6)alkyl; R6 is H, OR7 or CN; R7 is (C1-3)alkyl; R8 is (C5-7)cycloalkyl comprising a heteroatom selected from O, S, SO and SO2; R9 is H or (C1-4)alkyl; o and m represent the ortho or meta position of the substituent Y-CH2; or a pharmaceutically acceptable salt thereof; as well as to the use of said 1 -(biphenyl-4-ylmethyl)imidazolidine-2,4-dione derivatives as CB2 receptor agonists in the treatment of pain such as for example peri-operative pain, chronic pain, neuropathic pain, cancer pain and pain and spasticity associated with multiple sclerosis.
• 1-(BIPHENYL-4-YLMETHYL)IMIDAZOLIDINE-2,4-DIONE
  申请人：van der Stelt Marcelis

  公开号：US20100144723A1

  公开（公告）日：2010-06-10

  The invention relates to A 1-(biphenyl-4-ylmethyl)imidazolidine-2,4-dione derivative having the general Formula I wherein R 1 is H, (C 1-6 )alkyl (optionally substituted with oxo, OR 4 , COOR 5 , halogen or CN), (C 2-6 )alkenyl, (C 2-6 )alkynyl, (C 3-6 )cycloalkyl or (C 3-6 )cycloalkyl(C 1-3 )alkyl; R 2 and R 2 ′ are independently H or (C 1-3 )alkyl; or R 2 and R 2 ′ form together with the carbon atom to which they are bound a (C 3-5 )cycloalkyl group; R 3 represents H or 1 to 4 F substituents; Y represents or NR 8 R 9 ; X represents CHR 6 , CF 2 , O, S, SO or SO 2 ; R 4 and R 5 are (C 1-6 )alkyl; R 6 is H, OR 7 or CN; R 7 is (C 1-3 )alkyl; R 8 is (C 5-7 )cycloalkyl comprising a heteroatom selected from O, S, SO and SO 2 ; R 9 is H or (C 1-4 )alkyl; o and m represent the ortho or meta position of the substituent Y—CH 2 ; or a pharmaceutically acceptable salt thereof; as well as to the use of said 1-(biphenyl-4-ylmethyl)imidazolidine-2,4-dione derivatives in the treatment of pain such as for example peri-operative pain, chronic pain, neuropathic pain, cancer pain and pain and spasticity associated with multiple sclerosis.

  该发明涉及具有通式I的1-(联苯基-4-基甲基)咪唑烷二酮衍生物，其中R1为H，(C1-6)烷基（可选地取代为氧代、OR4、COOR5、卤素或CN），(C2-6)烯基，(C2-6)炔基，(C3-6)环烷基或(C3-6)环烷基(C1-3)烷基；R2和R2'独立地为H或(C1-3)烷基；或R2和R2'与它们连接的碳原子一起形成一个(C3-5)环烷基基团；R3代表H或1至4个F取代基；Y代表或NR8R9；X代表CHR6，CF2，O，S，SO或SO2；R4和R5为(C1-6)烷基；R6为H，OR7或CN；R7为(C1-3)烷基；R8为含有来自O、S、SO和SO2的杂原子的(C5-7)环烷基；R9为H或(C1-4)烷基；o和m表示取代基Y-CH2的邻位或间位；或其药学上可接受的盐；以及所述1-(联苯基-4-基甲基)咪唑烷二酮衍生物在治疗疼痛方面的应用，例如围手术期疼痛、慢性疼痛、神经痛、癌症疼痛以及与多发性硬化症相关的疼痛和痉挛。