4-氨基-2-萘甲腈 | 91135-42-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 4-氨基-2-萘甲腈
• 英文名称: 4-amino-[2]naphthonitrile
• 英文别名: 4-Amino-[2]naphthonitril；4-Amino-naphthoesaeure-(2)-nitril；4-Amino-2-cyan-naphthalin；4-Amino-<2>naphthoesaeure-nitril；1-Amino-3-cyan-naphthalin；3-Cyan-naphthyl-(1)-amin；1-Amino-3-cyanonaphthalene；4-aminonaphthalene-2-carbonitrile
• CAS: 91135-42-1
• 化学式: C₁₁H₈N₂
• 分子量: 168.198
• InChiKey: XCJZOOWUCHTLMX-UHFFFAOYSA-N

物化性质

• 熔点：
  123-124 °C
• 沸点：
  395.4±17.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-氨基-2-萘甲腈 在 硫酸 、 溶剂黄146 作用下， 生成 4-氨基萘-2-羧酸
  参考文献：
  名称：

  A Convenient Method for the Preparation of Hydroxy Naphthoic Acids

  摘要：

  DOI：

  10.1021/ja01848a054
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 、 alkaline earth salt of/the/ methylsulfuric acid 生成 4-氨基-2-萘甲腈
  参考文献：
  名称：

  Butler; Royle, Journal of the Chemical Society, 1923, vol. 123, p. 1652

  摘要：

  DOI：

文献信息

• [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。
• 2-Naphthylimino-1,3-thiazine derivative
  申请人：Kai Hiroyuki

  公开号：US20060281738A1

  公开（公告）日：2006-12-14

  The formula (I): wherein each of R 2 and R 3 is, same or different, C2-C4 alkyl or the like; or R 2 and R 3 are taken together with the adjacent carbon atom to form a 5 to 8 membered non-aromatic carbocyclic ring; R 4 is C1-C6 alkyl or the like; X is an oxgen atom or a sulfur atom; A is the group of the formula: wherein R 1 is, same or different, alkyl or the like; W is C2-C6 alkylene which may contain an optionally substituted heteroatom(s) or the like; n is an integer of 0 to 7, a pharmaceutically acceptable salt, or a solvate thereof.

  公式（I）：其中R2和R3分别为C2-C4烷基或类似基团，可以相同也可以不同；或者R2和R3与相邻的碳原子结合形成一个5到8元非芳香烷环；R4为C1-C6烷基或类似基团；X为氧原子或硫原子；A为以下公式的基团：其中R1为烷基或类似基团，可以相同也可以不同；W为C2-C6亚烷基，可以含有一个可选的取代杂原子或类似基团；n为0到7的整数，或其药物可接受的盐或溶剂化物。
• Beta-Lactams for Treatment of Cns Disorders
  申请人：Alvaro Giuseppe

  公开号：US20080262041A1

  公开（公告）日：2008-10-23

  The present invention relates to novel compounds of formula (I): wherein — represents a single or a double bond; R is a radical selected from: in which R 1 is halogen, cyano, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethyl or trifluoromethoxy and p is zero or an integer from 1 to 3; R 2 is hydrogen or C 1-4 alkyl; R 3 is hydrogen, hydroxy or C 1-4 alkyl; R 4 is hydrogen or R 4 together with R 3 represents ═O or ═CH2; R 5 is 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, C 1-4 alkyl, hydroxy, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or S(O)qC 1-4 alkyl; R 6 and R 7 independently are hydrogen, cyano, C 1-4 alkyl; R 8 is (CH 2 )rR 10 ; R 9 is hydrogen, halogen, C 3-7 cycloalkyl, hydroxy, nitro, cyano or C 1-4 alkyl optionally substituted by one or two groups selected from halogen, cyano, hydroxy or C 1-4 alkoxy; R 10 is hydrogen or C 3-7 cycloalkyl; n is 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

  本发明涉及公式（I）的新化合物： 其中—表示单键或双键； R是从以下选出的基团： 其中R1为卤素、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的整数； R2为氢或C1-4烷基； R3为氢、羟基或C1-4烷基； R4为氢或R4与R3一起表示═O或═CH2； R5为苯基、萘基、9-10个成员的融合双环杂环基或5或6个成员的杂环基，其中这些基团可选择地被1至3个独立选自三氟甲基、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烷基取代； R6和R7独立地为氢、氰基、C1-4烷基； R8为（CH2）rR10； R9为氢、卤素、C3-7环烷基、羟基、硝基、氰基或选择性地被1或2个选自卤素、氰基、羟基或C1-4烷氧基的基团取代的C1-4烷基； R10为氢或C3-7环烷基； n为1或2； q为0、1或2； r为0或1至4的整数； 或其药学上可接受的盐或溶剂，其制备方法以及它们在治疗由激肽介导的疾病和/或选择性抑制血清素再摄取转运蛋白方面的用途。
• 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1659117A1

  公开（公告）日：2006-05-24

  The formula (I): wherein each of R2 and R3 is, same or different, C2-C4 alkyl or the like; or R2 and R3 are taken together with the adjacent carbon atom to form a 5 to 8 membered non-aromatic carbocyclic ring; R4 is C1-C6 alkyl or the like; X is an oxgen atom or a sulfur atom; A is the group of the formula: wherein R1 is, same or different, alkyl or the like; W is C2-C6 alkylene which may contain an optionally substituted heteroatom(s) or the like; n is an integer of 0 to 7, a pharmaceutically acceptable salt, or a solvate thereof.

  式 (I)： 其中 R2 和 R3 相同或不同，各自为 C2-C4 烷基或类似物；或 R2 和 R3 与相邻碳原子一起形成 5 至 8 位元的非芳香族碳环；R4 为 C1-C6 烷基或类似物；X 为氧原子或硫原子；A 为式中的基团： 其中 R1 是相同或不同的烷基或类似物；W 是 C2-C6 亚烷基，可含有任选取代的杂原子或类似物；n 是 0 至 7 的整数、药学上可接受的盐或其溶液。
• Adcock,W.; Wells,P.R., Australian Journal of Chemistry, 1965, vol. 18, p. 1351 - 1364
  作者：Adcock,W.、Wells,P.R.

  DOI：——

  日期：——