4-[3',4',5'-tris(octadecyloxy)cyclohexylmethyloxy]benzyl alcohol | 1313025-19-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[3',4',5'-tris(octadecyloxy)cyclohexylmethyloxy]benzyl alcohol
• 英文别名: [4-[(3,4,5-Trioctadecoxycyclohexyl)methoxy]phenyl]methanol
• CAS: 1313025-19-2
• 化学式: C₆₈H₁₂₈O₅
• 分子量: 1025.76
• InChiKey: BXYLUMZXMWGODC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  28
• 重原子数：
  73
• 可旋转键数：
  58
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  57.2
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• BENZYLIC COMPOUND
  申请人：TAKAHASHI Daisuke

  公开号：US20110160433A1

  公开（公告）日：2011-06-30

  The present invention provides a protecting reagent that can be removed in a high yield even under acidic conditions and can afford a resulting product at a high purity in an organic synthesis reaction such as peptide synthesis and the like. The inventive protecting reagent is particular benzylic compound having only one hydroxyl group substituted by an organic group having an aliphatic hydrocarbon group having a carbon number of not less than 14.

  本发明提供了一种保护试剂，即使在酸性条件下也可以高产率地去除，并且可以在有机合成反应（如肽合成等）中获得高纯度的产物。该创新的保护试剂是一种特殊的苄基化合物，其仅有一个羟基被具有不少于14个碳原子编号的脂肪烃基的有机基取代。
• METHOD FOR REMOVING FMOC GROUP
  申请人：Ajinomoto Co., Inc.

  公开号：US20140296483A1

  公开（公告）日：2014-10-02

  The present invention relates to a method of removing an Fmoc group, including a step of mixing a compound represented by the formula (I): HS-L-COOH  (I) wherein L is a C 1-8 alkylene group optionally having substituent(s), an amino group-containing compound protected by an Fmoc group, and a base to give a reaction mixture containing a compound represented by the formula (II): Fm-S-L-COOH  (II) wherein Fm is a 9-fluorenylmethyl group, and L is as mentioned above, and an amino group-containing compound, and a step of removing the compound represented by the formula (II) by washing the obtained reaction mixture with a basic aqueous solution. According to the present invention, a removal method of Fmoc group, which can remove a dibenzofulvene derivative as a byproduct with ease, can be provided.

  本发明涉及一种去除Fmoc基团的方法，包括混合式化合物（I）的步骤：HS-L-COOH（I），其中L是一个C1-8烷基链，可选地具有取代基，一种被Fmoc基团保护的氨基化合物和一种碱，以得到一种反应混合物，其中包含一种化合物，其由式（II）表示：Fm-S-L-COOH（II），其中Fm是9-芴甲基基团，L如上所述，还包括一种氨基化合物，以及通过用碱性水溶液洗涤所得到的反应混合物，去除由式（II）表示的化合物。根据本发明，可以提供一种可以轻松去除二苯并富烯衍生物作为副产物的Fmoc基团去除方法。
• METHOD FOR PRODUCING PEPTIDE
  申请人：AJINOMOTO CO., INC.

  公开号：US20140080999A1

  公开（公告）日：2014-03-20

  The present invention provides a production method of a protected amino acid, protected peptide or peptide, including precipitation and solid-liquid separation of C-protected amino acid or C-protected peptide in a solvent containing water-containing acetonitrile, after removing the N-terminal protecting group from N-protected C-protected amino acid or N-protected C-protected peptide wherein the C-terminal carboxy group is protected by an anchor group.

  本发明提供了一种保护氨基酸、保护肽或肽的生产方法，包括在含有含水乙腈的溶剂中沉淀和固液分离C-保护氨基酸或C-保护肽，从N-保护C-保护氨基酸或N-保护C-保护肽中去除N-端保护基，其中C-端羧基由锚定基保护。
• BENZYL COMPOUND
  申请人：Ajinomoto Co., Inc.

  公开号：EP2518041A1

  公开（公告）日：2012-10-31

  Provided is a protecting reagent which can undergo deprotection in high yield even under acidic conditions in organic synthesis, e.g., peptide synthesis, and which enables high-purity products to be obtained. The protecting reagent is a benzyl compound represented by formula(I), which has only one hydroxyl group substituted by an organic group comprising an aliphatic hydrocarbon group and having 14 or more carbon atoms in total. [In formula(I), Y represents a hydroxyl group or -NHR (R represents a hydrogen atom, an alkyl, or an aralkyl); Ra represents an organic comprising an aliphatic hydrocarbon group, the total number of carbon atoms of the organic group being 14 or more; the n Rbs each independently represents a C1-6 alkoxy, a halogen atom, or C1-6 alkyl optionally substituted by one or more halogen atoms; and n is an integer of 0-4.]

  本发明提供了一种保护试剂，它在有机合成（如肽合成）中即使在酸性条件下也能高产率地进行脱保护，并能获得高纯度产品。保护试剂是由式（I）表示的苄基化合物，它只有一个羟基，被由脂肪族烃基组成的有机基团取代，总共有 14 个或更多的碳原子。[在式(I)中，Y 代表羟基或-NHR（R 代表氢原子、烷基或芳烷基）；Ra 代表包含脂族烃基的有机物，该有机物的碳原子总数为 14 个或更多；n 个 Rbs 各自独立地代表 C1-6 烷氧基、卤素原子或任选被一个或多个卤素原子取代的 C1-6 烷基；n 为 0-4 的整数。］
• METHOD FOR PRODUCING CYCLIZED PEPTIDE HAVING INTRAMOLECULAR S-S BOND
  申请人：AJINOMOTO CO., INC.

  公开号：EP3882255A1

  公开（公告）日：2021-09-22

  The present invention provides a method for producing a cyclized peptide having a crosslinked structure by one or more intramolecular S-S bonds, which is shown below. A method for producing a cyclized peptide, including (1-A) as to a linear peptide having two or more SH groups as functional groups on the peptide, in which all SH groups are protected, an N terminal amino group is optionally protected, and all of a C-terminal carboxy group and other functional groups on the peptide are protected (completely-protected peptide), a step of removing protecting groups of all functional groups other than the protected SH groups in the peptide, (1-B) a step of protecting all SH groups of the linear peptide having two or more SH groups as the functional groups on the peptide by forming a temporary S-S bond, and (2) a step of subjecting the peptide obtained by the above-mentioned step (1-A) and step (1-B), in which two or more SH groups are present as the functional groups on the peptide, all SH groups are protected by formation of a temporary S-S bond, and all protecting groups of other functional groups on the peptide are removed (S-protected peptide) to a folding step under oxidation and reduction conditions to obtain the cyclized peptide by re-forming an S-S bond in the peptide molecule.

  本发明提供了一种通过一个或多个分子内 S-S 键交联结构的环化肽的生产方法，如下所示。 一种生产环化肽的方法，包括 (1-A) 对于肽上具有两个或两个以上 SH 基团作为官能团的线性肽，其中所有 SH 基团均受保护，N 端氨基任选受保护，C 端羧基和肽上的其他官能团均受保护（完全保护肽），去除肽中除受保护的 SH 基团以外的所有官能团的保护基团的步骤、 (1-B) 通过形成临时的 S-S 键来保护多肽上具有两个或两个以上 SH 基团的线性多肽的所有 SH 基团、 和 (2) 将上述步骤（1-A）和步骤（1-B）得到的多肽（其中有两个或两个以上的 SH 基团作为多肽上的官能团，通过形成临时 S-S 键保护所有 SH 基团，并去除多肽上其他官能团的所有保护基团（S 保护多肽））在氧化和还原条件下进行折叠步骤，通过在多肽分子中重新形成 S-S 键得到环化多肽。