4-isohexyl-pyrocatechol | 688334-58-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-isohexyl-pyrocatechol
• 英文别名: 3.4-Dihydroxy-1-isohexyl-benzol；4-Isohexyl-brenzcatechin；4-(4-Methylpentyl)benzene-1,2-diol
• CAS: 688334-58-9
• 化学式: C₁₂H₁₈O₂
• 分子量: 194.274
• InChiKey: ULPSXUUAXSVOSQ-UHFFFAOYSA-N

物化性质

• 沸点：
  161-164 °C(Press: 5 Torr)
• 密度：
  1.047±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-isohexyl-pyrocatechol 在 ruthenium trichloride 、 sodium periodate 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 四氯化碳 、 水 、 乙腈 为溶剂， 反应 49.0h， 生成 7-(4'-methylpentyl)benzo[b][1,4]dioxepin-3-one
  参考文献：
  名称：

  新海洋气味剂的概念、表征和相关性

  摘要：

  通过由 PPA 介导的藜芦醇 (8) 的 Friedel-Crafts 酰化、克莱门森还原、TMSI 去甲基化、使用 3-氯-2-(氯甲基)丙-1-烯和原位四氧化钌的威廉姆森醚合成组成的合成序列在氧化过程中，制备了大量取代的苯并[b][1,4]二氧杂环己酮 15-27 和 2,3-二氢-1H-5,9-二氧杂环庚酮 [f] 茚酮 7、13 和 14，以研究它们的气味-结构相关性。在这些研究过程中，我们发现了极其强大的新型海洋气味剂 7-(3'-甲基丁基)benzo[b][1,4]dioxepin-3-one (16)。在测量的气味阈值数据的基础上，构建了一个嗅觉团模型，该模型使观察到的气味强度合理化，并表明距芳环结合位点中心 6.3 A 处存在脂肪族疏水物。(© Wiley-VCH Verlag GmbH & Co. KGaA,

  DOI：

  10.1002/ejoc.200300174
• 作为产物：
  描述：

  1-(3,4-Dimethoxy-phenyl)-4-methyl-pentan-1-one 在 盐酸 、 碘代三甲硅烷 、 锌 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 132.0h， 生成 4-isohexyl-pyrocatechol
  参考文献：
  名称：

  新海洋气味剂的概念、表征和相关性

  摘要：

  通过由 PPA 介导的藜芦醇 (8) 的 Friedel-Crafts 酰化、克莱门森还原、TMSI 去甲基化、使用 3-氯-2-(氯甲基)丙-1-烯和原位四氧化钌的威廉姆森醚合成组成的合成序列在氧化过程中，制备了大量取代的苯并[b][1,4]二氧杂环己酮 15-27 和 2,3-二氢-1H-5,9-二氧杂环庚酮 [f] 茚酮 7、13 和 14，以研究它们的气味-结构相关性。在这些研究过程中，我们发现了极其强大的新型海洋气味剂 7-(3'-甲基丁基)benzo[b][1,4]dioxepin-3-one (16)。在测量的气味阈值数据的基础上，构建了一个嗅觉团模型，该模型使观察到的气味强度合理化，并表明距芳环结合位点中心 6.3 A 处存在脂肪族疏水物。(© Wiley-VCH Verlag GmbH & Co. KGaA,

  DOI：

  10.1002/ejoc.200300174

文献信息

• TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF
  申请人：NORTHWEST UNIVERSITY

  公开号：US20170267718A1

  公开（公告）日：2017-09-21

  Provided are a tripeptide compound, a preparation method therefor, and an application thereof. The structure of the related compound is represented by formula (I). The provided compound has angiotensin converting enzyme inhibiting bioactivity, and the compound and a pharmaceutical composition thereof play a role in preventing and treating hypertension and other cardiocerebral vascular system diseases.

  提供了一种三肽化合物，其制备方法和应用。相关化合物的结构由式（I）表示。提供的化合物具有抑制血管紧张素转换酶的生物活性，该化合物及其药物组成对预防和治疗高血压和其他心脑血管系统疾病起着作用。
• Method for producing seven-membered diether compounds and intermediates thereof
  申请人：Takasago International Corporation

  公开号：EP1405851A1

  公开（公告）日：2004-04-07

  The invention provides a method for preparing 3,4-dihydro(2H)-1,5-benzodioxepin-3-ones represented by the formula (3): wherein R1, R2, R3 and R4 respectively represent, independently, a hydrogen atom an alkyl group or an alkenyl group, and R1, R2, R3 and R4 as a whole do not comprise more than 10 carbon atoms and that, when the two adjacent groups respectively comprise an alkyl group or an alkenyl group, they may be combined together to form a carbon ring; by reacting either a compound represented by the formula (1a) and/or (1b): wherein X represent a halogen atom; and R1, R2, R3 and R4 are as defined above; or catechols represented by the formula (5): wherein R1, R2, R3 and R4 are as defined above; with 1,3-dihaloacetones in the presence of sodium carbonate, through the removal of hydrogen halide.

  该发明提供了一种制备3,4-二氢(2H)-1,5-苯并二噁呋喃-3-酮的方法，其表示为公式(3)：其中R1、R2、R3和R4分别独立地代表氢原子、烷基或烯基，且R1、R2、R3和R4作为一个整体不含有超过10个碳原子，并且当两个相邻的基分别包含烷基或烯基时，它们可以结合在一起形成一个碳环；通过在碳酸钠存在下，通过去除氢卤化物来反应公式(1a)和/或(1b)所代表的化合物：其中X代表卤素原子；R1、R2、R3和R4如上所述；或者用公式(5)所代表的邻苯二酚：其中R1、R2、R3和R4如上所述；与1,3-二卤代乙酮反应。
• 2,6-Di-tertiary butyl phenyl pentaerythritol spiro bis-phosphites enhancing the stability to heat and light of synthetic resins, stabilizer compositions comprising phenolic antioxidants and such phosphites, and synthetic resin compositions containing the same
  申请人：ADEKA ARGUS CHEMICAL CO., Ltd.

  公开号：EP0038876A1

  公开（公告）日：1981-11-04

  2,6-Di-tertiary butyl phenyl pentaerythritol spiro bis-phosphites are provided having the structure: wherein: R is alkyl having from one to six carbon atoms; R is methyl or ethyl; R2 is selected from the group consisting of alkyl having from one up to about eighteen carbon atoms; cycloalkyl having from three up to about twelve carbon atoms; and alkaryl and aryl having from six to about thirty carbon atoms; such groups substituted with from one to about four oxy ether-0- and/or carboxylic ester-COO-groups; the residue of a polyhydric alcohol having from two to about eighteen carbon atoms, and from two to about ten hydroxyl groups; and the residue of a polyphenol having from six to about eighteen carbon atoms and from two to about ten phenolic hydroxyl groups. Stabilizer compositions are provided comprising a phenolic antioxidant and such phosphites as well as synthetic resin compositions having an enhanced resistance to deterioration by heat and/or light due to the presence of such a phosphite and/or stabilizer composition.

  2,6-二叔丁基苯基季戊四醇螺双磷酸盐具有以下结构： 其中 R 是具有 1 至 6 个碳原子的烷基； R 是甲基或乙基 R2 选自具有 1 至约 18 个碳原子的烷基；具有 3 至约 12 个碳原子的环烷基；具有 6 至约 30 个碳原子的烷芳基和芳基；这些基团被 1 至约 4 个氧醚-0-和/或羧酸酯-COO-基团取代；具有 2 至约 18 个碳原子和 2 至约 10 个羟基的多元醇的残余物；以及具有 6 至约 18 个碳原子和 2 至约 10 个酚类羟基的多元酚的残余物。 稳定剂组合物包括酚类抗氧化剂和此类亚磷酸酯以及合成树脂组合物，由于此类亚磷酸酯和/或稳定剂组合物的存在，合成树脂组合物的耐热和/或耐光性得到增强。
• Polyvinyl halide resin compositions containing 1,3 Dicarbonyl compounds
  申请人：PHOENIX CHEMICAL CORPORATION

  公开号：EP0040286A2

  公开（公告）日：1981-11-25

  1,3-Dicarbonyl compounds are provided having the formula: wherein: R1 is selected from the group consisting of hydrogen, hydrocarbon groups having from one to about eighteen carbon atoms and such groups substituted with one or more groups selected from the group consisting of halogen, hydroxy, alkoxy OR1, ester COOR1, alkyl and alkoxycarbonyl alkyl having from one to about eighteen carbon atoms, and R2 is selected from the group consisting of hydrocarbon having from one to about eighteen carbon atoms and such groups substituted with one or more groups selected from the group consisting of halogen, hydroxy, alkoxy OR1, ester COOR1, alkyl and alkoxycarbonyl alkyl having from one to about eighteen carbon atoms; R3 is selected from the group consisting of hydrogen, hydrocarbon groups having from one to about eighteen carbon atoms and such groups substituted with one or more groups selected from the group consisting of halogen, hydroxy, alkoxy OR1, ester COOR1, alkyl and alkoxycarbonyl alkyl having from one to about eighteen carbon atoms; as well as metal and organotin enolate salts thereof. The compounds are effective in enhancing the resistance to deterioration by heat and light of polyvinyl halide resins.

  1,3-二羰基化合物的化学式如下 其中 R1 选自氢、具有 1 至约 18 个碳原子的烃基和被 1 个或多个选自卤素、羟基、烷氧基 OR1、酯 COOR1、烷基和具有 1 至约 18 个碳原子的烷氧羰基烷基的基团取代的此类基团组成的组，和 R2 选自具有 1 至约 18 个碳原子的烃以及被 1 个或多个选自卤素、羟基、烷氧基 OR1、酯 COOR1、烷基和具有 1 至约 18 个碳原子的烷氧羰基烷基的基团取代的烃所组成的组； R3 选自由氢、具有 1 至约 18 个碳原子的烃基以及被 1 个或多个选自由卤素、羟基、烷氧基 OR1、酯 COOR1、烷基和具有 1 至约 18 个碳原子的烷氧羰基烷基组成的基团取代的烃基所组成的组； 以及它们的金属盐和有机锡烯酸盐。 这些化合物可有效提高聚乙烯卤化树脂的耐热和耐光劣化性能。
• Homogeneous storage-stable liquid barium-cadmium-triphosphite stabilizer systems for polyvinyl chloride resins
  申请人：Argus Chemical Corporation

  公开号：EP0047894A2

  公开（公告）日：1982-03-24

  Homogeneous storage-stable liquid stabilizer systems for polyvinyl chloride resins are provided which are substantially soivent-free and have a low viscosity and a minimum flash point of 96°C, containing, as the essential ingredients, a liquid barium carbonate-barium alkyl phenate; a cadmium salt of a branched chain aliphatic carboxylic acid having from about five to about thirteen carbon atoms, and/or of an aromatic carboxylic acid having from about seven to about eleven carbon atoms, and/or of an unsaturated aliphatic carboxylic acid having from about twelve to about twenty-two carbons; and a liquid organic triphosphite in an amount to form a homogeneous storage-stable liquid; the total weight percent of barium and cadmium in the stabilizer system being at least 13%, and the ratio of the weight percent of cadmium to the weight percent of barium being within the range from about 0.5:1 to about 1.5:1; optionally together with any one or more of a soluble zinc salt of a carboxylic acid, a soluble phenolic antioxidant, a liquid organic acid phosphite, and a soluble carboxylic acid.

  本发明提供了用于聚氯乙烯树脂的贮存稳定的均相液体稳定剂体系，该体系基本上不含溶剂，具有低粘度，最低闪点为96°C，其基本成分包括液体碳酸钡-烷基酚钡；具有约 5 至约 13 个碳原子的支链脂肪族羧酸的镉盐，和/或具有约 7 至约 11 个碳原子的芳香族羧酸的镉盐，和/或具有约 12 至约 22 个碳原子的不饱和脂肪族羧酸的镉盐；和液态有机三亚磷酸，其用量可形成均匀的储存稳定液体；稳定剂体系中钡和镉的总重量百分比至少为 13%，镉的重量百分比与钡的重量百分比之比范围在约 0.5:1至约1.5:1的范围内；可选择与羧酸的可溶性锌盐、可溶性酚类抗氧化剂、液态有机亚磷酸酯和可溶性羧酸中的任意一种或多种一起使用。