formic acid-(1-methyl-3-phenyl-propyl ester) | 96735-17-0

• 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: formic acid-(1-methyl-3-phenyl-propyl ester)
• 英文别名: Ameisensaeure-(1-methyl-3-phenyl-propylester)；4-Phenylbutan-2-yl formate
• CAS: 96735-17-0
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: YHJHYJSUGKFIOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-苯基-2-丁醇 生成 formic acid-(1-methyl-3-phenyl-propyl ester)
  参考文献：
  名称：

  Hewitt; Kenyon, Journal of the Chemical Society, 1925, vol. 127, p. 1097

  摘要：

  DOI：

文献信息

• [EN] METHOD OF CONVERTING ALCOHOL TO HALIDE<br/>[FR] PROCÉDÉ DE CONVERSION D'UN ALCOOL EN HALOGÉNURE
  申请人：UNIV SAARLAND

  公开号：WO2016202894A1

  公开（公告）日：2016-12-22

  The present invention relates to a method of converting an alcohol into a corresponding halide. This method comprises reacting the alcohol with an optionally substituted aromatic carboxylic acid halide in presence of an N-substituted formamide to replace a hydroxyl group of the alcohol by a halogen atom. The present invention also relates to a method of converting an alcohol into a corresponding substitution product. The second method comprises: (a) performing the method of the invention of converting an alcohol into the corresponding halide; and (b) reacting the corresponding halide with a nucleophile to convert the halide into the nucleophilic substitution product.

  本发明涉及一种将醇转化为相应卤化物的方法。该方法包括在N-取代甲酰胺的存在下，将醇与可选择取代的芳香羧酸卤化物反应，以通过卤原子取代醇的羟基。本发明还涉及一种将醇转化为相应取代产物的方法。第二种方法包括：(a)执行将醇转化为相应卤化物的本发明方法；以及(b)将相应卤化物与亲核试剂反应，将卤化物转化为亲核取代产物。
• The Reaction of Olefins with Chloroalkoxyalkanes and Formic Acid in Ether
  作者：Kazuo Nishiura、Tsutomu Tagano、Yasuo Wada、Shigeo Tanimoto、Masaya Okano

  DOI：10.1246/bcsj.53.1376

  日期：1980.5

  The reaction of olefins with chloromethoxymethane (CMM) and excess formic acid in ether, in the presence of ZnCl2 or HgCl2, afforded mainly four products, 1-chloro- and 1-formyloxy-2-(formyloxymethyl)alkanes, and 3,5-dialkyl-4-chloro- and 3,5-dialkyl-4-(formyloxy)tetrahydropyrans, in various yields. In the case of styrene, the chief products were limited to the former two. Similar products were obtained

  在 ZnCl2 或 HgCl2 存在下，烯烃与氯甲氧基甲烷 (CMM) 和过量甲酸在醚中反应，主要得到四种产物，1-氯-和 1-甲酰氧基-2-（甲酰氧基甲基）烷烃和 3,5-二烷基-4-氯-和3,5-二烷基-4-（甲酰氧基）四氢吡喃，以不同的产率。就苯乙烯而言，主要产品仅限于前两者。从 1-氯-1-乙氧基乙烷 (CEE) 中获得了类似的产品，但它们的产率非常低。
• CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER
  申请人：Aymami Bofarull Juan

  公开号：US20110105544A1

  公开（公告）日：2011-05-05

  The invention provides novel compounds of formula (I), wherein: R 1 is a radical derived from one of the known ring systems; R 2 is a phenyl radical optionally substituted; X n represents a birradical selected from the group consisting of: —(CH 2 ) 1-4 —, (C 2 -C 4 )-alkenyl, (C 2 -C 4 )alkynyl, —S—(CH 2 ) 1-3 —#, and —(CH 2 ) 1-3 —O—#; wherein the symbol # indicates the position at which X n is attached to R 1 ; Y n is a birradical selected from the group consisting of: —(CH 2 ) 2-4 —, —S—(CH 2 ) 1-3 #, and —O—(CH 2 ) 1-3 —#; wherein the symbol # indicates the position at which Y n is attached to R 2 ; and R 3 is a radical selected from the group consisting of: —OR 4 . The compounds of formula (I) are useful in the treatment of cancer.

  本发明提供了式（I）的新化合物，其中：R1是从已知环系中派生的基团；R2是可选取代的苯基基团；Xn代表从以下群组中选择的双基团：—（CH2）1-4—，（C2-C4）-烯基，（C2-C4）炔基，—S—（CH2）1-3—#，和—（CH2）1-3—O—#；其中符号#表示Xn连接到R1的位置；Yn代表从以下群组中选择的双基团：—（CH2）2-4—，—S—（CH2）1-3#，和—O—（CH2）1-3—#；其中符号#表示Yn连接到R2的位置；R3是从以下群组中选择的基团：—OR4。式（I）的化合物在癌症治疗中有用。
• PRO-FRAGRANCE COMPOUNDS
  申请人：FIRMENICH SA

  公开号：US20160122271A1

  公开（公告）日：2016-05-05

  A compound is provided of Formula (I), wherein R 1 represents a C 3 to C 20 hydrocarbon group derived from an alcohol of formula R 1 OH, from a formate of formula R 1 OCH═O, or a cinnamyl aldehyde of Formula (II) wherein a compound of Formula I is capable of releasing a compound, when oxidized, selected from the group consisting of a fragrant alcohol of formula R 1 OH, a fragrant formate ester of formula R 1 OCH=0 and aryl aldehyde of Formula (III), wherein R 2 is, independently, hydrogen atom, hydroxyl group, optionally substituted C 1 -C 6 alkyl group, C 1 -C 6 alkoxy group, or -0(C=0)CH(CH3) 2 wherein any two of R 2 may form an optionally substituted 5 or 6 membered ring. The compounds are useful for example as a precursor for the prolonged delivery or release of fragrant compounds such as fragrant alcohols, fragrant aldehydes or fragrant formates.

  提供了一个公式为（I）的化合物，其中R1代表从公式R1OH的醇，从公式R1OCH═O的甲酸酯或从公式（II）的肉桂醛衍生的C3到C20碳氢基团，其中化合物公式I在氧化时能够释放选自以下化合物组成的化合物：公式R1OH的芳香醇，公式R1OCH=0的芳香甲酸酯和公式（III）的芳基醛，其中R2独立地表示氢原子、羟基、可选取代的C1-C6烷基基团、C1-C6烷氧基基团或-0(C=0)CH(CH3)2，其中任意两个R2可形成可选取代的5或6元环。这些化合物可用作芳香化合物（如芳香醇、芳香醛或芳香甲酸酯）的延长释放或释放的前体。
• Pro-fragrance compounds
  申请人：FIRMENICH SA

  公开号：US10752862B2

  公开（公告）日：2020-08-25

  A compound is provided of Formula (I) wherein R1 represents a C3 to C20 hydrocarbon group derived from an alcohol of formula R1OH, from a formate of formula R1OCH═O, or a cinnamyl aldehyde of Formula (II) wherein a compound of Formula I is capable of releasing a compound, when oxidized, selected from the group consisting of a fragrant alcohol of formula R1OH, a fragrant formate ester of formula R1OCH═O and aryl aldehyde of Formula (III) wherein R2 is, independently, hydrogen atom, hydroxyl group, optionally substituted C1-C6 alkyl group, C1-C6 alkoxy group, or —O(C═O)CH(CH3)2 wherein any two of R2 may form an optionally substituted 5 or 6 membered ring. The compounds are useful for example as a precursor for the prolonged delivery or release of fragrant compounds such as fragrant alcohols, fragrant aldehydes or fragrant formates.

  提供了一种式 (I) 的化合物 其中 R1 代表源自式 R1OH 的醇、式 R1OCH═O 的甲酸酯或式（II）的肉桂醛的 C3 至 C20 烃基 其中式 I 的化合物在氧化时能释放出一种化合物，该化合物选自由式 R1OH 的芳香醇、式 R1OCH═O 的芳香甲酸酯和式 (III) 的芳基醛组成的组 其中 R2 独立地为氢原子、羟基、任选取代的 C1-C6 烷基、C1-C6 烷氧基或-O(C═O)CH(CH3)2，其中任意两个 R2 可形成任选取代的 5 或 6 成员环。这些化合物可用作延长芳香醇、芳香醛或芳香甲酸酯等芳香化合物的输送或释放时间的前体。