resorcinol monooctanoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: resorcinol monooctanoate
• 英文别名: 1,3-Benzenediol, o-octanoyl-；(3-hydroxyphenyl) octanoate
• 化学式: C₁₄H₂₀O₃
• 分子量: 236.311
• InChiKey: FZUNTZFKUFSWKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  resorcinol monooctanoate 、 乙酸酐 生成 1,3-bis(octanoyloxy)benzene
  参考文献：
  名称：

  FONG, RONALD A.;ROWLAND, RICHARD R.

  摘要：

  DOI：
• 作为产物：
  描述：

  辛酸酐 、 间苯二酚 生成 resorcinol monooctanoate
  参考文献：
  名称：

  FONG, RONALD A.;ROWLAND, RICHARD R.

  摘要：

  DOI：

文献信息

• Method for esterifying dihydroxybenzenes
  申请人：The Clorox Company

  公开号：US04814110A1

  公开（公告）日：1989-03-21

  The present invention provides a method of esterifying dihydroxybenzene starting materials to synthesize unsymmetrical diesters in high yield. Many of the resultant unsymmetrical diesters are useful in dry bleaching compositions. The method can be practiced by selectively monoacylating a dihydroxybenzene starting material with an acid anhydride to form an intermediate monoester having the structure ##STR1## which is then acylated to form a diester reaction product having the structure ##STR2## wherein R.sub.1 is greater than R.sub.3 (and both R.sub.1 and R.sub.3 are alkyl groups) and X is a substituent group which does not participate in the esterification (or which can have a protecting group thereon).

  本发明提供了一种酯化二羟基苯起始物质的方法，以高产率合成非对称二酯。许多所得的非对称二酯在干漂白组合物中很有用。该方法可通过选择性地用酸酐对二羟基苯起始物质进行单酰基化，形成具有结构的中间体单酯，然后酰化以形成具有结构的二酯反应产物，其中R.sub.1大于R.sub.3（且R.sub.1和R.sub.3均为烷基基团），X是不参与酯化的取代基团（或者可以在其上具有保护基团）。
• Bleaching with phenylene diester peracid precursors
  申请人：The Clorox Company

  公开号：US04964870A1

  公开（公告）日：1990-10-23

  The invention provides novel peracid precursors representative of which is the structure: ##STR1## wherein R.sup.1 is alkyl of 1 to 20 carbon atoms; R.sup.2 is OH, --O--R.sup.3, or ##STR2## and X.sup.1, X.sup.2, Y and Z are individually selected from H, SO.sub.3.sup.--, CO.sub.2.sup.--, NO.sub.2, NR.sub.4.sup.5+, halogen, R.sup.6 and mixtures thereof; wherein R.sup.3 of --O--R.sup.3 is alkyl of 1 to 20 carbon atoms; R.sup.4 of ##STR3## is alkyl of 1 to 20 carbon atoms; R.sup.5 of NR.sub.4.sup.5+ is selected from H, alkyl of 1 to 24 carbon atoms and mixtures thereof; and R.sup.6 is alkyl of 1 to 20 carbon atoms. In one embodiment of the invention, the novel peracid precursors are combined with a source of hydrogen peroxide and sufficient quantities of buffer to impact an alkaline pH when the composition is placed in aqueous solution. Preferred embodiments of the invention include wherein R.sup.2 is hydroxy, and R.sup.1 is alkyl of 1 to 20 carbon atoms (monoester); and wherein R.sup.2 is ##STR4## and R.sup.1 and R.sup.4 are alkyls of 1 to 20 carbon atoms (diester) and may be either symmetrical (i.e., R.sup.1 =R.sup.4) or mixed (i.e., R.sup.1 .noteq.R.sup.4). The mixed diester embodiment appears to provide benefits of mixed hydrophobic/hydrophilic peracid generation to oxidize both hydrophobic and hydrophilic soils. Various detergent adjuncts known to those skilled in the art may be added, such as surfactants, builders, fragrances, antimicrobial compounds and the like.

  该发明提供了新型过酸前体，其中一种代表性结构为：##STR1## 其中R.sup.1为1至20个碳原子的烷基；R.sup.2为OH，--O--R.sup.3，或##STR2## X.sup.1、X.sup.2、Y和Z分别选自H、SO.sub.3.sup.--、CO.sub.2.sup.--、NO.sub.2、NR.sub.4.sup.5+、卤素、R.sup.6和其混合物；其中--O--R.sup.3的R.sup.3为1至20个碳原子的烷基；##STR3##的R.sup.4为1至20个碳原子的烷基；NR.sub.4.sup.5+的R.sup.5选自H、1至24个碳原子的烷基和其混合物；R.sup.6为1至20个碳原子的烷基。在该发明的一种实施例中，将新型过酸前体与过氧化氢源和足够量的缓冲剂结合，在将组合物置于水溶液中时，会产生碱性pH。该发明的首选实施例包括R.sup.2为羟基，R.sup.1为1至20个碳原子的烷基（单酯）；以及R.sup.2为##STR4##，R.sup.1和R.sup.4为1至20个碳原子的烷基（二酯），可以是对称的（即，R.sup.1 = R.sup.4）或混合的（即，R.sup.1 ≠ R.sup.4）。混合二酯实施例似乎提供了混合疏水/亲水性过酸的优点，以氧化疏水和亲水的污垢。可以添加各种洗涤剂辅助剂，如表面活性剂、建筑剂、香料、抗菌化合物等。
• Phenylene mixed diester peracid precursors
  申请人：The Clorox Company

  公开号：EP0185522A2

  公开（公告）日：1986-06-25

  The invention provides novel peracid precursors representative of which is the structure: wherein R' is alkyl of 1 to 20 carbon atoms; R2 is OH, -O-R3, and X', X2, Y and Z are individually selected from H, S03, CO2, NO2, NR5+4; halogen, R6 and mixtures thereof: wherein R3 of -O-R3 is alkyl of 1 to 20 carbon atoms: R4 is alkyl of 1 to 20 carbon atoms: R5 of NR5+4 is selected from H, alkyl of 1 to 24 carbon atoms and mixtures thereof; and R6 is alkyl of 1 to 20 carbon atoms. In one embodiment of the invention, the novel peracid precursors are combined with a source of hydrogen peroxide and sufficient quantities of buffer to impart an alkaline pH when the composition is placed in aqueous solution. Preferred embodiments of the invention include wherein R2 is hydroxy, and R' is alkyl of 1 to 20 carbon atoms (monoester); and wherein R2 is and R1 and R4 are alkyls of 1 to 20 carbon atoms (diester) and may be either symmetrical (i.e., R1=R4) or mixed (i.e., R1≠R4). The mixed diester embodiment appears to provide benefits of mixed hydrophobic-hydrophilic peracid generation to oxidize both hydrophobic and hydrophilic soils. Various detergent adjuncts known to those skilled in the art may be added, such as surfactants, builders, fragrances, antimicrobial compounds and the like.

  本发明提供的新型过酸前体具有代表性的结构： 其中 R' 为 1 至 20 个碳原子的烷基；R2 为 OH、-O-R3、 X'、X2、Y 和 Z 单独选自 H、S03、CO2、NO2、NR5+4、卤素、R6 及其混合物： 其中-O-R3 的 R3 是 1 至 20 个碳原子的烷基：R4 是 1 至 20 个碳原子的烷基：NR5+4 的 R5 选自 H、1 至 24 个碳原子的烷基及其混合物；以及 R6 是 1 至 20 个碳原子的烷基。 在本发明的一个实施方案中，新型过酸前体与过氧化氢源和足够量的缓冲剂结合，使组合物置于水溶液中时具有碱性 pH 值。本发明的优选实施方案包括 其中 R2 是羟基，R'是 1 至 20 个碳原子的烷基（单酯）； 其中 R2 是 和 R1 和 R4 是 1 至 20 个碳原子的烷基（二酯），可以是对称的（即 R1=R4）或混合的（即 R1≠R4）。混合二酯实施方案似乎具有疏水-亲水混合过酸生成的优点，可以氧化疏水和亲水土壤。可添加本领域技术人员已知的各种洗涤剂辅助剂，如表面活性剂、增效剂、香料、抗菌化合物等。
• FONG, RONALD A.;ROWLAND, RICHARD R.
  作者：FONG, RONALD A.、ROWLAND, RICHARD R.

  DOI：——

  日期：——
• Method of esterifying dihydroxybenzenes
  申请人：The Clorox Company

  公开号：EP0252724B1

  公开（公告）日：1992-12-30