4-(羟基甲基)-2-萘甲腈 | 79996-93-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 4-(羟基甲基)-2-萘甲腈
• 英文名称: 4-hydroxymethyl-2-naphthonitrile
• 英文别名: 4-(hydroxymethyl)-2-naphthalenecarbonitrile；3-cyano-1-hydroxymethylnaphthalene；4-(hydroxymethyl)naphthalene-2-carbonitrile
• CAS: 79996-93-3
• 化学式: C₁₂H₉NO
• 分子量: 183.21
• InChiKey: QYYNJONAFQOCJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(羟基甲基)-2-萘甲腈 在 吡啶 、 盐酸 、 potassium fluoride 、 氢溴酸 、 三溴化磷 作用下， 以 甲醇 、 苯 为溶剂， 反应 69.0h， 生成 2-acetyl-4-fluoromethylnaphthalene
  参考文献：
  名称：

  Dixon, Elisabeth A.; Fischer, Alfred; Robinson, Frank P., Canadian Journal of Chemistry, 1981, vol. 59, p. 2629 - 2641

  摘要：

  DOI：
• 作为产物：
  描述：

  3-溴萘-1-甲酸 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 17.0h， 生成 4-(羟基甲基)-2-萘甲腈
  参考文献：
  名称：

  Dixon, Elisabeth A.; Fischer, Alfred; Robinson, Frank P., Canadian Journal of Chemistry, 1981, vol. 59, p. 2629 - 2641

  摘要：

  DOI：

文献信息

• [EN] NAPHTHYL ETHER COMPOUNDS AND THEIR USE<br/>[FR] COMPOSES DE NAPHTYL ETHER ET LEUR UTILISATION
  申请人：ASTRAZENECA AB

  公开号：WO2004022539A1

  公开（公告）日：2004-03-18

  Compounds having the following structure wherein R1, R2, R3, R4, R5, R6, R7 m and n are as defined in the specification, in vivo-hydrolysable precursors thereof, pharmaceutically-acceptable salts thereof, the use in therapy and pharmaceutical compositions and methods of treatment using the same.

  具有以下结构的化合物，其中R1、R2、R3、R4、R5、R6、R7、m和n如规范中定义，其体内可水解的前体，其药用盐，以及在治疗中的使用、制药组合物和使用相同的治疗方法。
• [EN] PIPERIDINE AMINE COMPOUNDS AND THEIR USE<br/>[FR] COMPOSES D'AMINE PIPERIDINE ET LEUR UTILISATION
  申请人：ASTRAZENECA AB

  公开号：WO2004056771A1

  公开（公告）日：2004-07-08

  Compounds having the formula[Chemical formula should be inserted here. Please see paper copy] wherein R1, R2, R3, R6, R7 and Ar are as defined in the specification, in vivo-hydrolysable precursors thereof, pharmaceutically-acceptable salts thereof, the use in therapy and pharmaceutical compositions and methods of treatment using the same.

  具有化学式[化学式应在此处插入。请参阅纸质副本]的化合物，其中R1、R2、R3、R6、R7和Ar如规范中定义，其体内可水解的前体，其药用可接受的盐，以及在治疗中的使用和使用相同的药物组合物和治疗方法。
• [EN] BETA-LACTAMS FOR TREATMENT OF CNS DISORDERS<br/>[FR] BETA-LACTAMES POUR LE TRAITEMENT DE TROUBLES DU SYSTEME NERVEUX CENTRAL
  申请人：GLAXO GROUP LTD

  公开号：WO2005049600A1

  公开（公告）日：2005-06-02

  The present invention relates to novel compounds of formula (I) wherein ---- represents a single or a double bond; R represents a radical selected from formulae i), ii), iii) and iv) in which R1 is halogen, cyano, C1-4 alkyl, C1-4 alkoxy, trifluoromethyl or trifluoromethoxy and p is zero or an integer from 1 to 3; R2 represents hydrogen or C1-4 alkyl; R3 represents hydrogen, hydroxy or C1-4 alkyl; R4 represents hydrogen or R4 together with R3 represents =0 or =CH2; R5 represents phenyl, naphthyl, a 9 to 10 membered fused bicyclic heterocyclic group or a 5 or 6 membered heteroaryl group, wherein said groups are optionally substituted by 1 to 3 groups independently selected from trifluoromethyl, C1-4 alkyl, hydroxy, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or S(O)qC1-4 alkyl; R6 and R7 independently represent hydrogen, cyano, C1-4 alkyl; R8 is (CH2)rR10; R9 represents hydrogen, halogen, C3-7 cycloalkyl, hydroxy, nitro, cyano or C1-4 alkyl optionally substituted by one or two groups selected from halogen, cyano, hydroxy or C1-4 alkoxy; R10 represents hydrogen or C3-7 cycloalkyl; n represents 1 or 2; q is 0, 1 or 2; r is 0 or an integer from 1 to 4; or a pharmaceutically acceptable salt or a solvate thereof, process for their preparation and their use in the treatment of conditions mediated by tackykinins and/or by selective inhibition of the serotonin reuptake transporter protein.

  本发明涉及式(I)的新化合物，其中----代表单键或双键；R代表从式i)、ii)、iii)和iv)中选择的基团，其中R1是卤素、氰基、C1-4烷基、C1-4烷氧基、三氟甲基或三氟甲氧基，p为零或1至3之间的整数；R2代表氢或C1-4烷基；R3代表氢、羟基或C1-4烷基；R4代表氢或R4与R3一起代表=0或=CH2；R5代表苯基、萘基、9至10个成员的融合双环杂环基团或5或6个成员的杂环芳基团，其中这些基团可以选择地被1至3个独立选择的基团取代，所述基团选自三氟甲基、C1-4烷基、羟基、氰基、C1-4烷氧基、三氟甲氧基、卤素或S(O)qC1-4烷基；R6和R7独立地代表氢、氰基、C1-4烷基；R8为(CH2)rR10；R9代表氢、卤素、C3-7环烷基、羟基、硝基、氰基或C1-4烷基，可以选择地被1或2个选自卤素、氰基、羟基或C1-4烷氧基的基团取代；R10代表氢或C3-7环烷基；n代表1或2；q为0、1或2；r为0或1至4之间的整数；或其药学上可接受的盐或溶剂，其制备方法及其在通过tackykinins介导的疾病和/或通过选择性抑制血清素再摄取转运蛋白介导的疾病治疗中的用途。
• [EN] IMIDAZOL-2-ONE COMPOUNDS USEFUL IN THE TREATMENT OF VARIOUS DISORDERS<br/>[FR] COMPOSES D'IMIDAZOL-2-ONE UTILES DANS LE TRAITEMENT DE DIVERS TROUBLES
  申请人：GLAXO GROUP LTD

  公开号：WO2005121122A1

  公开（公告）日：2005-12-22

  A compound of formula (I) wherein: R represents a group selected from: i) ii) iii) or iv) in which R6 is halogen, cyano, C1-4 alkyl or trifluoromethyl and p is 2 or 3 or R6 is halogen, cyano, C1-4 alkyl, C1-4 alkoxy, trifluoromethoxy or trifluoromethyl and p is 0 or 1; R1 represents hydrogen, halogen, cyano, C2-4 alkenyl, C1-4 alkyl optionally substituted by halogen, cyano or C1-4 alkoxy; R2 represents hydrogen or (CH2)qR7; R3 and R4 each independently are hydrogen or C1-4 alkyl; R5 represents : phenyl substituted by 1 to 3 groups independently selected from trifluoromethyl, C1-4 alkyl, cyano, C1-4 alkoxy, trifluoromethoxy, halogen, S(O)rC1-4 alkyl or a phenyl substituted by a 5 or 6 membered heteroaryl group optionally substituted by 1 to 3 groups independently selected from trifluoromethyl, C1-4 alkyl, cyano, C1-4 alkoxy, trifluoromethoxy, halogen or S(O)rC1-4 alkyl; naphthyl substituted by 1 to 3 groups independently selected from trifluoromethyl, C1-4 alkyl, cyano, C1-4 alkoxy, trifluoromethoxy, halogen or S(O)rC1-4 alkyl; a 9 to 10 membered fused bicyclic heterocyclic group substituted by 1 to 3 groups independently selected from trifluoromethyl, C1-4 alkyl, cyano, C1-4 alkoxy, trifluoromethoxy, halogen or S(O)rC1-4 alkyl or R5 is a 5 or 6 membered heteroaryl group substituted by 1 to 3 groups independently selected from trifluoromethyl, C1-4 alkyl, cyano, C1-4 alkoxy, trifluoromethoxy, halogen or S(O)rC1-4alkyl; R7 is hydrogen, C3-7 cycloalkyl, C1-4 alkoxy, amine, C1-4 alkylamine, (C1-4 alkyl)2amine, OC(O)NR8R9 or C(O)NR8R9; R8 and R9 each independently represent hydrogen, C1-4 alkyl or C3-7 cycloalkyl; A-B is a bivalent radical of formula (v) -CH=C(R11)- (vi) -C (R10)=CH- or (vii) -C(R12)(R10)-C(R11)(R13)- wherein R10, R11, R12 and R13 each independently are hydrogen or C1-4 alkyl; n is 1 or 2; q is an integer from 1 to 4; r is 1 or 2; or pharmaceutically acceptable salts and solvates thereof, process for their preparation and their use in the treatment of conditions mediated by tachykinins and/or by selective inhibition of serotonin reuptake transporter protein.

  化合物的化学式（I），其中：R代表从以下选项中选择的基团：i）ii）iii）或iv），其中R6是卤素、氰基、C1-4烷基或三氟甲基，p为2或3，或者R6是卤素、氰基、C1-4烷基、C1-4烷氧基、三氟甲氧基或三氟甲基，p为0或1；R1代表氢、卤素、氰基、C2-4烯基、C1-4烷基，可选择地被卤素、氰基或C1-4烷氧基取代；R2代表氢或（CH2）qR7；R3和R4各自独立地是氢或C1-4烷基；R5代表：苯基，由1到3个基团独立选择的三氟甲基、C1-4烷基、氰基、C1-4烷氧基、三氟甲氧基、卤素、S（O）rC1-4烷基取代，或者由1到3个基团独立选择的三氟甲基、C1-4烷基、氰基、C1-4烷氧基、三氟甲氧基、卤素或S（O）rC1-4烷基取代的5或6成员杂芳基苯基；由1到3个基团独立选择的三氟甲基、C1-4烷基、氰基、C1-4烷氧基、三氟甲氧基、卤素或S（O）rC1-4烷基取代的萘基；由1到3个基团独立选择的三氟甲基、C1-4烷基、氰基、C1-4烷氧基、三氟甲氧基、卤素或S（O）rC1-4烷基取代的9到10成员融合双环杂环基，或者R5是由1到3个基团独立选择的三氟甲基、C1-4烷基、氰基、C1-4烷氧基、三氟甲氧基、卤素或S（O）rC1-4烷基取代的5或6成员杂芳基；R7是氢、C3-7环烷基、C1-4烷氧基、胺、C1-4烷基胺、（C1-4烷基）2胺、OC（O）NR8R9或C（O）NR8R9；R8和R9各自独立地代表氢、C1-4烷基或C3-7环烷基；A-B是化学式（v）的双价基团，其中-R11）-（vi）-C（R10）= CH-或（vii）-C（R12）（R10）-C（R11）（R13）-其中R10、R11、R12和R13各自独立地是氢或C1-4烷基；n为1或2；q为1到4的整数；r为1或2；或其药学上可接受的盐和溶剂，其制备方法及其用于治疗由速激肽介导的疾病和/或通过选择性抑制5-羟色胺再摄取转运蛋白的药物。
• [EN] CYCLIC AMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] DERIVES D'AMINE CYCLIQUES, PROCEDES DE PREPARATION DE CEUX-CI ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：GLAXO GROUP LTD

  公开号：WO2004099143A1

  公开（公告）日：2004-11-18

  A compound of formula (I) wherein R represents a radical selected from i) ii) iii) iv) where the substituents R1, R2, R3, R4, R4, R7 and the indices m, n and p are as defined in the description; or pharmaceutically acceptable salts and solvates thereof; processes for their preparation to pharmaceutical compositions containing them and their use in the treatment of conditions mediated by tachykinins and/or by selective inhibition of serotonin reuptake transporter protein.

  式（I）的化合物，其中R代表从i）ii）iii）iv）中选择的基团，其中取代基R1、R2、R3、R4、R5、R6、R7和指数m、n和p如描述中所定义；或其药学上可接受的盐和溶剂；它们的制备方法到含有它们的药物组合物以及它们在治疗由速效肽激酶介导的病症和/或通过选择性抑制血清素再摄取转运蛋白介导的病症中的应用。