1-(2-Methylpropoxy)-4-(nitrosomethyl)benzene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(2-Methylpropoxy)-4-(nitrosomethyl)benzene
• 英文别名: 1-(2-methylpropoxy)-4-(nitrosomethyl)benzene
• 化学式: C₁₁H₁₅NO₂
• 分子量: 193.24
• InChiKey: ISGCRJBXWWHVSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Methods for preparing N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl)carbamide and its tartrate salt and polymorphic form C
  申请人：ACADIA PHARMACEUTICALS INC.

  公开号：US10597363B2

  公开（公告）日：2020-03-24

  Disclosed herein are methods for obtaining N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl) carbamide (pimavanserin) comprising the step of contacting an intermediate according to Formula (A) or a salt thereof, with an intermediate Formula B, or a salt thereof, to produce pimavanserin or a salt thereof wherein Y is —ORi or —NR2aR2b; R3 is hydrogen or substituted or unsubstituted heteroalicyclyl, R4 is substituted or unsubstituted aralkyl; X is —OR22 or —NR23R24; (wherein R22 is hydrogen or substituted or unsubstituted C1-6alkyl and one of R23 and R24 is hydrogen and the other is hydrogen or N-methylpiperidin-4-yl); and R21 is —OCH2CH(CH3)2 or F; Also disclosed herein is the tartrate salt of N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl) carbamide and methods for obtaining the salt.

  本发明公开了获得N-(4-氟苄基)-N-(1-甲基哌啶-4-基)-N′-(4-(2-甲基丙氧基)苯基甲基)碳酰胺(匹马色林)的方法，包括将符合式(A)的中间体或其盐与符合式B的中间体或其盐接触生成匹马色林或其盐的步骤 其中Y是-ORi或-NR2aR2b；R3 是氢或取代或未取代的杂环烷基，R4 是取代或未取代的芳烷基；X 是-OR22 或-NR23R24；（其中 R22 是氢或取代或未取代的 C1-6 烷基，R23 和 R24 中的一个是氢，另一个是氢或 N-甲基哌啶-4-基）；本文还公开了N-(4-氟苄基)-N-(1-甲基哌啶-4-基)-N′-(4-(2-甲基丙氧基)苯基甲基)甲酰胺的酒石酸盐和获得该盐的方法。
• Methods for preparing N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl)carbamide and its tartrate salt and polymorphic form
  申请人：ACADIA Pharmaceuticals Inc.

  公开号：US10981870B2

  公开（公告）日：2021-04-20

  Disclosed herein are methods for obtaining N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl) carbamide (pimavanserin) comprising the step of contacting an intermediate according to Formula (A) or a salt thereof, with an intermediate Formula B, or a salt thereof, to produce pimavanserin or a salt thereof wherein Y is —ORi or —NR2aR2b; R3 is hydrogen or substituted or unsubstituted heteroalicyclyl, R4 is substituted or unsubstituted aralkyl; X is —OR22 or —NR23R24; (wherein R22 is hydrogen or substituted or unsubstituted C1-6alkyl and one of R23 and R24 is hydrogen and the other is hydrogen or N-methylpiperidin-4-yl); and R21 is —OCH2CH(CH3)2 or F; Also disclosed herein is the tartrate salt of N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl) carbamide and methods for obtaining the salt.

  本发明公开了获得N-(4-氟苄基)-N-(1-甲基哌啶-4-基)-N′-(4-(2-甲基丙氧基)苯基甲基)碳酰胺(匹马色林)的方法，包括将符合式(A)的中间体或其盐与符合式B的中间体或其盐接触生成匹马色林或其盐的步骤 其中Y是-ORi或-NR2aR2b；R3 是氢或取代或未取代的杂环烷基，R4 是取代或未取代的芳烷基；X 是-OR22 或-NR23R24；（其中 R22 是氢或取代或未取代的 C1-6 烷基，R23 和 R24 中的一个是氢，另一个是氢或 N-甲基哌啶-4-基）；本文还公开了N-(4-氟苄基)-N-(1-甲基哌啶-4-基)-N′-(4-(2-甲基丙氧基)苯基甲基)甲酰胺的酒石酸盐和获得该盐的方法。
• METHODS FOR PREPARING N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND POLYMORPHIC FORM C
  申请人：Acadia Pharmaceuticals Inc.

  公开号：EP3325444B1

  公开（公告）日：2021-07-07
• METHODS FOR PREPARING N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND POLYMORPHIC FORM
  申请人：ACADIA PHARMACEUTICALS INC.

  公开号：US20190047955A1

  公开（公告）日：2019-02-14

  Disclosed herein are methods for obtaining N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl) carbamide (pimavanserin) comprising the step of contacting an intermediate according to Formula (A) or a salt thereof, with an intermediate Formula B, or a salt thereof, to produce pimavanserin or a salt thereof wherein Y is —OR i or —NR 2a R 2b ; R 3 is hydrogen or substituted or unsubstituted heteroalicyclyl, R 4 is substituted or unsubstituted aralkyl; X is —OR 22 or —NR 23 R 24 ; (wherein R 22 is hydrogen or substituted or unsubstituted C 1-6 alkyl and one of R 23 and R 24 is hydrogen and the other is hydrogen or N-methylpiperidin-4-yl); and R 21 is —OCH 2 CH(CH 3 ) 2 or F; Also disclosed herein is the tartrate salt of N-(4-fluoroben-zyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl) carbamide and methods for obtaining the salt.
• [EN] METHODS FOR PREPARING N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND POLYMORPHIC FORM C<br/>[FR] PROCÉDÉS DE PRÉPARATION DE N-(4-FLUOROBENZYL)-N-(1-MÉTHYLPIPÉRIDIN-4-YL)-N'-(4-2-MÉTHYLPROPYLOXY)PHÉNYLMÉTHYL)CARBAMIDE, SON SEL DE TARTRATE ET SA FORME POLYMORPHE C
  申请人：ACADIA PHARM INC

  公开号：WO2017015272A1

  公开（公告）日：2017-01-26

  Disclosed herein are methods for obtaining N-(4-fluorobenzyl)-N-(l-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl) carbamide (pimavanserin) comprising the step of contacting an intermediate according to Formula (A) or a salt thereof, with an intermediate Formula B, or a salt thereof, to produce pimavanserin or a salt thereof wherein Y is -ORi or -NR2aR2b; R3 is hydrogen or substituted or unsubstituted heteroalicyclyl, R4 is substituted or unsubstituted aralkyl; X is -OR22 or -NR23R24; (wherein R22 is hydrogen or substituted or unsubstituted C1-6alkyl and one of R23 and R24 is hydrogen and the other is hydrogen or N- methylpiperidin-4-yl); and R21 is -OCH2CH(CH3)2 or F; Also disclosed herein is the tartrate salt of N-(4-fluorobenzyl)-N-(l-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl) carbamide and methods for obtaining the salt.