2-tetrahydropyranyl 4-(bromomethyl)bemzoate | 118684-11-0

• 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: 2-tetrahydropyranyl 4-(bromomethyl)bemzoate
• 英文别名: tetrahydropyranyl p-bromomethylbenzoate；oxan-2-yl 4-(bromomethyl)benzoate
• CAS: 118684-11-0
• 化学式: C₁₃H₁₅BrO₃
• 分子量: 299.164
• InChiKey: YYAREWBLUUWZSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-tetrahydropyranyl 4-(bromomethyl)bemzoate 在 硫酸 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 、 丙酮 为溶剂， 反应 43.5h， 生成 4-{[4-(trifluoroacetyl)-3-hydroxy-2-propylphenoxy]methyl}benzoic acid
  参考文献：
  名称：

  Hydroxyacetophenone-derived antagonists of the peptidoleukotrienes

  摘要：

  Considerations of the possible similarities between leukotriene D4 and its prototypical antagonist, FPL 55712, led to the development of a new series of leukotriene antagonists incorporating a hydroxyacetophenone group (e.g., the toluic acids 16 and 18). Although considerable attention has focused on FPL 55712-derived analogues, only limited investigations into alternatives for the standard 4-acetyl-3-hydroxy-2-propylphenoxy moiety have been reported. Therefore, an extensive study of modifications to the hydroxyacetophenone portion of toluic acid 18 was undertaken. Although no viable alternative to the 3-hydroxy moiety was discovered, replacements for the 2-propyl group (34, 37) and the 4-acetyl functionality (56, 59) yielded potent antagonists. A number of compounds exhibited longer duration of action in vivo than FPL 55712.

  DOI：

  10.1021/jm00124a014
• 作为产物：
  描述：

  对溴甲基苯甲酸 、 3,4-二氢-2H-吡喃 在 sodium chloride 、 4-甲基苯磺酸吡啶 、 碳酸氢钠 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 2-tetrahydropyranyl 4-(bromomethyl)bemzoate
  参考文献：
  名称：

  Mesomorphic compound having .beta.-hydroxycarboxyl group as chiral

  摘要：

  揭示了一种具有β-羟基羧基作为手性源的介向化合物，其化学式表示为：##STR1## 其中m和n为1至18的整数，X₁和X₂分别代表氟、氯或氢，Y代表##STR2## 或--O--，Z代表直接键，##STR3## --CH hd 2O--或--OCH₂--，*表示不对称碳。该介向化合物可作为铁电液晶或铁电液晶的添加剂，或添加到显示SmC相且不含手性基团的化合物中。

  公开号：

  US04925591A1

文献信息

• Mesomorphic compound having .beta.-hydroxycarboxyl group as chiral
  申请人：Mitsubishi Rayon Co., Ltd.

  公开号：US04925591A1

  公开（公告）日：1990-05-15

  Disclosed is a mesomorphic compound having a .beta.-hydroxycarboxyl group as the chiral source, which is represented by the formula: ##STR1## wherein m and n are integers of from 1 to 18, X.sub.1 and X.sub.2 independently represent fluorine, chlorine or hydrogen, Y represents ##STR2## or --O--, Z represents a direct bond, ##STR3## --CH hd 2O-- or --OCH.sub.2 --, and * indicates the asymmetric carbon. The mesomorphic compound is valuable as a ferroelectric liquid crystal or an additive to a ferroelectric liquid crystal or to a compound showing the SmC phase and having no chiral group.

  揭示了一种具有β-羟基羧基作为手性源的介向化合物，其化学式表示为：##STR1## 其中m和n为1至18的整数，X₁和X₂分别代表氟、氯或氢，Y代表##STR2## 或--O--，Z代表直接键，##STR3## --CH hd 2O--或--OCH₂--，*表示不对称碳。该介向化合物可作为铁电液晶或铁电液晶的添加剂，或添加到显示SmC相且不含手性基团的化合物中。
• Optically active compound having XI-valerolactone ring and liquid
  申请人：Mitsubishi Rayon Company Ltd.

  公开号：US05045228A1

  公开（公告）日：1991-09-03

  An optically active compound having a .delta.-valerolactone ring which is a ferroelectric liquid crystal and is represented by the following general formula (I): ##STR1## wherein m is an integer of from 1 to 8, Z is a group represented by the following formula: ##STR2## in which each of l and k is a number of 1 or 2 and l and k satisfy the requirement of 2.ltoreq.(l+k).ltoreq.3, X stands for a direct bond, ##STR3## Y stands for ##STR4## and A.sub.1 and A.sub.2 independently stand for --H, --F or --Cl, ##STR5## R stands for ##STR6## in which n is an integer of from 1 to 18, and * indicates the asymmetric carbon atom.

  一种具有.delta.-戊内酯环的光学活性化合物，是一种铁电液晶，由以下通式(I)表示：##STR1## 其中m为1到8的整数，Z为以下式子表示的基团：##STR2## 其中l和k分别为1或2的数字，且l和k满足2≤(l+k)≤3的要求，X代表直接键，##STR3## Y代表##STR4##，A.sub.1和A.sub.2分别代表--H，--F或--Cl，##STR5## R代表##STR6##，其中n为1到18的整数，*表示不对称碳原子。
• Optically active compound having delta-valerolactone ring and liquid crystal composition comprising same
  申请人：MITSUBISHI RAYON CO., LTD.

  公开号：EP0313379A2

  公开（公告）日：1989-04-26

  An optically active compound having a 8-valerolactone ring, which is represented by the formula: wherein m is an integer of 1 to 8, Z is a group of the formula: in which each of ℓ and k is 1 or 2 and and k satisfy the requirement of 2 ≦ (ℓ + k) ≦ 3, X stands for a direct bond, Y stands for and A1 and A2 independently for -H, -F or -Gℓ, or R stands for or in which n is an integer of from 1 to 18, and * indicates the asymmetric carbon atom. This optically active compound is valuable as a ferroelectric liquid crystal having a large spontaneous polarization or as an additive to a ferroelectric liquid crystal composition.

  一种具有 8-戊内酯环的光学活性化合物，由式表示： 其中 m 是 1 至 8 的整数，Z 是式中的基团： 其中 ℓ 和 k 各为 1 或 2，且 ℓ 和 k 满足 2 ≦ (ℓ + k) ≦ 3 的要求，X 代表直接键、 Y 代表 A1 和 A2 分别代表 -H、-F 或 -Gℓ、 或 R 代表 或 其中 n 为 1 至 18 的整数，* 表示不对称碳原子。 这种光学活性化合物作为具有较大自发极化的铁电液晶或作为铁电液晶组合物的添加剂非常有价值。
• Mesomorphic compound having beta-hydroxycarboxyl group as chiral source and liquid crystal composition
  申请人：MITSUBISHI RAYON CO., LTD.

  公开号：EP0321984A1

  公开（公告）日：1989-06-28

  Disclosed is a mesomorphic compound having a β-hydroxycarboxyl group as the chiral source, which is represented by the formula: wherein m and n are integers of from 1 to 18, X1 and X2 independently represent fluorine, chlorine or hydrogen, Y represents or -O-, Z represents a direct bond, -CH20, or -OCH2-, and * indicates the asymmetric carbon atom. The mesomorphic compound is valuable as a ferroelectric liquid crystal or an additive to a ferroelectric liquid crystal or to a compound showing the SmC phase and having no chiral group.

  本发明公开了一种以β-羟基羧基为手性源的中间体化合物，其结构如式所示： 其中 m 和 n 是 1 至 18 的整数，X1 和 X2 独立地代表氟、氯或氢，Y 代表 或-O-，Z 代表直接键、 -CH20，或 -OCH2-，* 表示不对称碳原子。介形化合物作为铁电液晶或铁电液晶添加剂或显示 SmC 相且无手性基团的化合物非常有价值。
• BROWN, FREDERICK J.;BERNSTEIN, PETER R.;CRONK, LAURA A.;DOSSET, DAVID L.;+, J. MED. CHEM., 32,(1989) N, C. 807-826
  作者：BROWN, FREDERICK J.、BERNSTEIN, PETER R.、CRONK, LAURA A.、DOSSET, DAVID L.、+

  DOI：——

  日期：——