[2-(chloromethyl)phenyl]methyl acetate | 71703-26-9

• 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: [2-(chloromethyl)phenyl]methyl acetate
• 英文别名: 2-Acetoxymethylbenzyl chloride；1-Chlormethyl-2-acetoxymethyl-benzol；2-(Acetoxymethyl)-benzylchlorid
• CAS: 71703-26-9
• 化学式: C₁₀H₁₁ClO₂
• 分子量: 198.649
• InChiKey: FLLBATQQFORCFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [2-(chloromethyl)phenyl]methyl acetate 以80 mol %的产率得到[2-(cyanomethyl)phenyl]methyl acetate
  参考文献：
  名称：

  US6180801

  摘要：

  公开号：
• 作为产物：
  描述：

  邻二氯苄 在 sodium acetate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以42%的产率得到[2-(chloromethyl)phenyl]methyl acetate
  参考文献：
  名称：

  US6180801

  摘要：

  公开号：

文献信息

• Imidazopyridine compounds and processes for preparation thereof
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0268989A1

  公开（公告）日：1988-06-01

  An imidazopyridine compound of the formula : wherein R' is lower alkynyl, lower alkynyloxy(lower)alkyl or N,N-di(lower)alkylamino(lower)alkynyl, R2 is lower alkyl, R3 is ar(lower)alkyl substituted by one or more substituent(s) selected from cyano, trihalo(lower)alkyl, carbamoyl, protected amino, carboxy, protected carboxy, hydroxy, hydroxy(lower)alkyl, protected hydroxy-(lower)alkyl, protected hydroxy and protected amino(lower)alkyl or ar(lower)alkyl substituted by lower alkyl and one additional substituent selected from hydroxy(lower)alkyl, amino, N-lower alkyl-N-protected amino, protected amino and lower alkylamino, and R4 is hydrogen or lower alkyl, and a pharmaceutically acceptable salt thereof, processes for their preparation and pharmaceutical compositions comprising them. The invention also comprises intermediates of the formula and of the formula

  式中的咪唑吡啶化合物 其中 R' 是低级炔基、低级炔氧基（低级）烷基或 N,N-二（低级）烷基氨基（低级）炔基、 R2 是低级烷基 R3 是被一个或多个选自氰基、三卤代（低级）烷基、氨基甲酰基、受保护氨基、羧基、受保护羧基、羟基、羟基（低级）烷基、受保护羟基（低级）烷基、受保护羟基和受保护氨基（低级）烷基的取代基取代的 ar（低级）烷基，或被低级烷基和一个选自羟基（低级）烷基、氨基、N-低级烷基-N-受保护氨基、受保护氨基和低级烷基氨基的取代基取代的 ar（低级）烷基，以及 R4 是氢或低级烷基、 及其药学上可接受的盐、其制备工艺和包含它们的药物组合物。本发明还包括式 和式
• Method for manufacturing 3-isochromanone
  申请人：SHOWA DENKO KABUSHIKI KAISHA

  公开号：EP0947512A1

  公开（公告）日：1999-10-06

  The present invention intends to provide a method for producing 3-isochromanones represented by formula (II) useful as a synthetic starting material of medicals or agricultural chemicals and the cyano compound represented by formula (I) by an industrially advantageous method in a high yield. Disclosed herein is a method for manufacturing a 3-isochromanone represented by the following formula (II): (wherein R2, R3, R4 and R5 each independently represents a hydrogen atom, a halogen atom, an alkyl group or an alkoxy group), said method is characterized by comprising the steps of: hydrolyzing a cyano compound represented by formula (I): (wherein R1 represents a hydrogen atom, an alkyl group or an aryl group, and R2, R3, R4 and R5 have the same meanings as defined above) and subjecting the hydrolyzate to intramolecular cyclization.

  本发明旨在提供一种方法，以工业上有利的方法高产率地生产由式（II）代表的3-异色酮，该异色酮可用作医用或农用化学品的合成起始原料，以及由式（I）代表的氰基化合物。 本发明公开了一种制造下式（II）代表的 3-异色酮的方法： (其中 R2、R3、R4 和 R5 各自独立地代表氢原子、卤素原子、烷基或烷氧基）、 所述方法的特征在于包括以下步骤： 水解式 (I) 所代表的氰基化合物： (其中 R1 代表氢原子、烷基或芳基，R2、R3、R4 和 R5 的含义与上文所定义的相同），并使水解产物进行分子内环化。
• Syntheses of 5-Chlorouracils/Thymines with 1-[Phosphono(Methyl/Difluoromethyl)]-1,2-Unsaturated-Moiety-Substituted Methyl Groups at N(1) and Human Thymidine Phosphorylase Inhibitory Activity
  作者：Matthew R. Birck、Keith Clinch、Graeme J. Gainsford、Vern L. Schramm、Peter C. Tyler

  DOI：10.1002/hlca.200900003

  日期：2009.5

  Abstractmagnified imageBy attaching (methyl)‐ or (difluoromethyl)‐phosphonate groups to the 1‐positions of ethene, cyclopentene or benzene, and attaching 1‐(methyl)‐5‐chlorouracil or 1‐(methyl)thymine groups to the corresponding 2‐positions, compounds 1–5 were prepared as potential inhibitors of recombinant human thymidine phosphorylase (TP). The products were designed to mimic the interatomic distance (ca. 3.41 Å) between the incoming phosphate and leaving pyrimidine groups at the transition state for the putative SN2 mechanism of TP. Free rotation around the (unsaturated‐CH2)–pyrimidine bonds in 1–5 enabled a span of ca. 2.40–4.40 Å between the CH2 or CF2 C‐atoms in the phosphonates and N(1) of the pyrimidines to be covered. The products were found to be ineffective inhibitors, and some reasons for this are given.
• Synthesis of 6-Alkyl-3,3-dimethyl-5-oxo-8,9-benzodecenolides by Intramolecular Reverse Dieckmann Reaction
  作者：Jaswant Rai Mahajan、Helena De Carvalho

  DOI：10.1055/s-1979-28737

  日期：——
• Helberger,J.H.; Sproviero,J.F., Justus Liebigs Annalen der Chemie, 1963, vol. 666, p. 75 - 77
  作者：Helberger,J.H.、Sproviero,J.F.

  DOI：——

  日期：——