3-(2-chloroethoxy)-5-methyl-1-(6-methoxynaphthalen-2-yl)-1H-pyrazol | 1192511-86-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-(2-chloroethoxy)-5-methyl-1-(6-methoxynaphthalen-2-yl)-1H-pyrazol
• 英文别名: 3-(2-chloroethoxy)-1-(6-methoxynaphthalen-2-yl)-5-methylpyrazole
• CAS: 1192511-86-6
• 化学式: C₁₇H₁₇ClN₂O₂
• 分子量: 316.787
• InChiKey: RJVUDVVFKFJYJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  吗啉 、 3-(2-chloroethoxy)-5-methyl-1-(6-methoxynaphthalen-2-yl)-1H-pyrazol 在 氮气 、 N,N-二甲基甲酰胺 、 水 、 二氯甲烷 、 盐酸 、 sodium hydroxide 、 Sodium sulfate-III 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以leaving a residue of 448 mg of 4-{2-[1-(6-methoxynaphthalen-2-yl)-5-methyl-1H-pyrazol-3-yloxy]ethyl}morpholine (yield: 61%) in the form of a colourless oil的产率得到4-{2-[1-(6-methoxynaphthalen-2-yl)-5-methyl-1H-pyrazol-3-yloxy]ethyl}morpholine
  参考文献：
  名称：

  5-methyl-1-(naphthalen-2-yl)-1H-pyrazoles useful as sigma receptor inhibitors

  摘要：

  本发明涉及具有以下式子（I）的化合物：其中虚线（表示为- - -）表示可选的双键；R1为氢，R2为羟乙基；或者R1和R2与它们所连接的氮原子形成一个吗啡啶环，该环可选地被一个或两个羟基取代；每个R3独立地为羟基或C1-6烷氧基；n从0、1和2中选择；或其N-氧化物、盐、前药、溶剂或立体异构体；但是，其中虚线表示双键，R1和R2与它们所连接的氮原子形成吗啡啶环，且n为0的化合物被排除。此外，还提供了制备式（I）化合物的方法；它们作为药物的用途，特别是用于治疗或预防σ受体介导的疾病或病状。

  公开号：

  US08492425B2
• 作为产物：
  描述：

  3-hydroxy-5-methyl-1-(6-metoxynaphthalen-2-yl)-1H-pyrazole 、 1-溴-2-氯乙烷 在 四乙基溴化铵 sodium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 反应 5.0h， 以28%的产率得到3-(2-chloroethoxy)-5-methyl-1-(6-methoxynaphthalen-2-yl)-1H-pyrazol
  参考文献：
  名称：

  5-Methyl-1-(naphthalen-2-YL)-1H-Pyrazoles useful as sigma receptor inhibitors

  摘要：

  具有以下结构式（I）的化合物： 其中虚线（表示为- - - - -）代表可选的双键； R1为氢，R2为羟乙基；或者R1和R2与它们附着的氮原子一起形成一个吗啡啉环，该环可选择地被一个或两个羟基取代； R3为羟基或C1-6烷氧基； n选自0、1和2； 但是排除以下组合：虚线代表双键，R1和R2与它们附着的氮原子一起形成吗啡啉环，n为0； 以及其N-氧化物、盐或立体异构体。 此外，提供了制备结构式（I）化合物的方法；它们作为药物的用途，特别是用于治疗或预防σ受体介导的疾病或症状。

  公开号：

  EP2113501A1

文献信息

• 5-METHYL-1-(NAPHTHALEN-2-YL)-1H-PYRAZOLES USEFUL AS SIGMA RECEPTOR INHIBITORS
  申请人：Torrens Jover Antoni

  公开号：US20110118253A1

  公开（公告）日：2011-05-19

  The invention relates to compounds having the formula (I): wherein the dashed line (represented by - - - - -) represents an optional double bond; R 1 is hydrogen and R 2 is hydroxyethyl; or R 1 and R 2 together with the nitrogen atom to which they are attached form a morpholinyl ring optionally substituted with one or two hydroxy groups; each R 3 is independently hydroxy or C 1-6 alkoxy; n is selected from 0, 1, and 2; or a N-oxide, salt, prodrug, solvate or stereoisomer thereof; with the proviso that the compound where the dashed line represents a double bond, R 1 and R 2 together with the nitrogen atom to which they are attached form a morpholinyl ring, and n is 0, is excluded. Also provided are methods for the preparation of compounds of formula (I); their uses as a medicaments, particularly for the treatment or prophylaxis of a sigma receptor mediated diseases or conditions.

  本发明涉及具有以下公式（I）的化合物：其中虚线（表示为- - - - -）表示可选的双键；R1为氢，R2为羟乙基；或者R1和R2与它们所连接的氮原子一起形成一个吗啉环，该吗啉环可选择地被一个或两个羟基取代；每个R3独立地是羟基或C1-6烷氧基；n从0、1和2中选择；或其N-氧化物、盐、前药、溶剂或立体异构体；但是，当虚线表示双键，R1和R2与它们所连接的氮原子一起形成吗啉环，且n为0时，该化合物被排除。还提供了制备公式（I）化合物的方法；它们作为药物的用途，特别是用于治疗或预防σ受体介导的疾病或症状。
• US8492425B2
  申请人：——

  公开号：US8492425B2

  公开（公告）日：2013-07-23
• [EN] 5-METHYL-1-(NAPHTHALEN-2-YL)-1H-PYRAZOLES USEFUL AS SIGMA RECEPTOR INHIBITORS<br/>[FR] 5-MÉTHYL-1-(NAPHTALÉN-2-YL)-1H-PYRAZOLES UTILES COMME INHIBITEURS DES RÉCEPTEURS SIGMA
  申请人：ESTEVE LABOR DR

  公开号：WO2009130331A1

  公开（公告）日：2009-10-29

  The invention relates to compounds having the Formula (I), wherein the dashed line (represented by - - - - - ) represents an optional double bond; R1 is hydrogen and R2 is hydroxyethyl; or R1 and R2 together with the nitrogen atom to which they are attached form a morpholinyl ring optionally substituted with one or two hydroxy groups; each R3 is independently hydroxy or Ci-εalkoxy; n is selected from 0, 1, and 2; or a N-oxide, salt, prodrug, solvate or stereoisomer thereof; with the proviso that the compound where the dashed line represents a double bond, R1 and R2 together with the nitrogen atom to which they are attached form a morpholinyl ring, and n is 0, is excluded. Also provided are methods for the preparation of compounds of formula (I); their uses as a medicaments, particularly for the treatment or prophylaxis of a sigma receptor mediated diseases or conditions.
• 5-Methyl-1-(naphthalen-2-YL)-1H-Pyrazoles useful as sigma receptor inhibitors
  申请人：Laboratorios Del. Dr. Esteve, S.A.

  公开号：EP2113501A1

  公开（公告）日：2009-11-04

  Compounds having the formula (I): wherein the dashed line (represented by - - - - - ) represents an optional double bond; R1 is hydrogen and R2 is hydroxyethyl; or R1 and R2 together with the nitrogen atom to which they are attached form a morpholinyl ring optionally substituted with one or two hydroxy groups; R3 is hydroxy or C1-6alkoxy; n is selected from 0, 1, and 2; with the proviso that the combination where the dashed line represents a double bond, R1 and R2 together with the nitrogen atom to which they are attached form a morpholinyl ring, and n is 0, is excluded; and an N-oxide, salt, or stereoisomer thereof. Also provided are methods for the preparation of compounds of formula (I); their uses as a medicament, particularly for the treatment or prophylaxis of a sigma receptor mediated disease or condition.

  具有以下结构式（I）的化合物： 其中虚线（表示为- - - - -）代表可选的双键； R1为氢，R2为羟乙基；或者R1和R2与它们附着的氮原子一起形成一个吗啡啉环，该环可选择地被一个或两个羟基取代； R3为羟基或C1-6烷氧基； n选自0、1和2； 但是排除以下组合：虚线代表双键，R1和R2与它们附着的氮原子一起形成吗啡啉环，n为0； 以及其N-氧化物、盐或立体异构体。 此外，提供了制备结构式（I）化合物的方法；它们作为药物的用途，特别是用于治疗或预防σ受体介导的疾病或症状。
• 5-methyl-1-(naphthalen-2-yl)-1H-pyrazoles useful as sigma receptor inhibitors
  申请人：Torrens Jover Antoni

  公开号：US08492425B2

  公开（公告）日：2013-07-23

  The invention relates to compounds having the formula (I): wherein the dashed line (represented by - - - ) represents an optional double bond; R1 is hydrogen and R2 is hydroxyethyl; or R1 and R2 together with the nitrogen atom to which they are attached form a morpholinyl ring optionally substituted with one or two hydroxy groups; each R3 is independently hydroxy or C1-6alkoxy; n is selected from 0, 1, and 2; or a N-oxide, salt, prodrug, solvate or stereoisomer thereof; with the proviso that the compound where the dashed line represents a double bond, R1 and R2 together with the nitrogen atom to which they are attached form a morpholinyl ring, and n is 0, is excluded. Also provided are methods for the preparation of compounds of formula (I); their uses as a medicaments, particularly for the treatment or prophylaxis of a sigma receptor mediated diseases or conditions.

  本发明涉及具有以下式子（I）的化合物：其中虚线（表示为- - -）表示可选的双键；R1为氢，R2为羟乙基；或者R1和R2与它们所连接的氮原子形成一个吗啡啶环，该环可选地被一个或两个羟基取代；每个R3独立地为羟基或C1-6烷氧基；n从0、1和2中选择；或其N-氧化物、盐、前药、溶剂或立体异构体；但是，其中虚线表示双键，R1和R2与它们所连接的氮原子形成吗啡啶环，且n为0的化合物被排除。此外，还提供了制备式（I）化合物的方法；它们作为药物的用途，特别是用于治疗或预防σ受体介导的疾病或病状。