2-十二烷基苯磺酰氯 | 1296885-05-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-十二烷基苯磺酰氯
• 英文名称: o-dodecylbenzenesulfonyl chloride
• 英文别名: 2-Dodecylbenzene-1-sulfonyl chloride；2-dodecylbenzenesulfonyl chloride
• CAS: 1296885-05-6
• 化学式: C₁₈H₂₉ClO₂S
• 分子量: 344.946
• InChiKey: NBINSWOYIKLKGL-UHFFFAOYSA-N

物化性质

• 沸点：
  434.6±24.0 °C(Predicted)
• 密度：
  1.064±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  22
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-氨基-1,3,4-噻二唑 、 2-十二烷基苯磺酰氯 在 吡啶 作用下， 反应 2.0h， 以13%的产率得到o-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
  参考文献：
  名称：

  Development of sulfonamide AKT PH domain inhibitors

  摘要：

  Disruption of the phosphatidylinositol 3-kinase/AKT signaling pathway can lead to apoptosis in cancer cells. Previously we identified a lead sulfonamide that selectively bound to the pleckstrin homology (PH) domain of AKT and induced apoptosis when present at low micromolar concentrations. To examine the effects of structural modification, a set of sulfonamides related to the lead compound was designed, synthesized, and tested for binding to the expressed PH domain of AKT using a surface plasmon resonance-based competitive binding assay. Cellular activity was determined by means of an assay for pAKT production and a cell killing assay using BxPC-3 cells. The most active compounds in the set are lipophilic and possess an aliphatic chain of the proper length. Results were interpreted with the aid of computational modeling. This paper represents the first structure-activity relationship (SAR) study of a large family of AKT PH domain inhibitors. Information obtained will be used in the design of the next generation of inhibitors of AKT PH domain function. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.01.049
• 作为产物：
  描述：

  2-十二烷基酚 在 甲酸 、 双氧水 、 sodium hydride 、 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 13.5h， 生成 2-十二烷基苯磺酰氯
  参考文献：
  名称：

  Development of sulfonamide AKT PH domain inhibitors

  摘要：

  Disruption of the phosphatidylinositol 3-kinase/AKT signaling pathway can lead to apoptosis in cancer cells. Previously we identified a lead sulfonamide that selectively bound to the pleckstrin homology (PH) domain of AKT and induced apoptosis when present at low micromolar concentrations. To examine the effects of structural modification, a set of sulfonamides related to the lead compound was designed, synthesized, and tested for binding to the expressed PH domain of AKT using a surface plasmon resonance-based competitive binding assay. Cellular activity was determined by means of an assay for pAKT production and a cell killing assay using BxPC-3 cells. The most active compounds in the set are lipophilic and possess an aliphatic chain of the proper length. Results were interpreted with the aid of computational modeling. This paper represents the first structure-activity relationship (SAR) study of a large family of AKT PH domain inhibitors. Information obtained will be used in the design of the next generation of inhibitors of AKT PH domain function. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.01.049

文献信息

• Oximesulfonic acid esters and the use thereof as latent sulfonic acids
  申请人：——

  公开号：US20010037037A1

  公开（公告）日：2001-11-01

  The invention relates to the use of oximesulfonic acid esters of formula I 1 wherein m is 0 or 1 and x is 1 or 2; R 1 is, for example, substituted phenyl, R 2 has, for example, one of the meanings of R 1 or is unsubstituted phenyl, C 1 -C 6 alkanoyl, unsubstituted or substituted benzoyl, C 2 -C 6 alkoxycarbonyl or phenoxycarbonyl; or R 1 and R 2 , if necessary together with the CO group, form a ring, R 3 , when x is 1, is, for example, C 1 -C 18 alkyl, phenyl or phenanthryl, the radicals phenyl and phenanthryl being unsubstituted or substituted, or R 3 , when x is 2, is, for example, C 2 -C 12 alkylene, phenylene or oxydiphenylene, the radicals phenylene and oxydiphenylene being unsubstituted or substituted, as latent acid donors, especially at wavelengths over 390 nm, and to the use of the compounds in the production of photoresists.

  该发明涉及使用式I1的羟胺磺酸酯，其中m为0或1，x为1或2；R1为例如取代苯基，R2为例如具有R1的一种含义或为未取代苯基、C1-C6烷酰基、未取代或取代苯甲酰基、C2-C6烷氧羰基或苯氧羰基；或者如果必要，R1和R2连同CO基团一起形成环，当x为1时，R3为例如C1-C18烷基、苯基或苯并芘基，其中苯基和苯并芘基未取代或取代，或当x为2时，R3为例如C2-C12烷基、苯基或氧二苯基，其中苯基和氧二苯基未取代或取代，作为潜在酸供体，特别是在波长超过390纳米时，以及在光阻剂的生产中使用这些化合物。
• Color diffusion transfer photographic element with sufinic acid
  申请人：Fuji Photo Film Co., Ltd.

  公开号：US04547452A1

  公开（公告）日：1985-10-15

  A color diffusion transfer photographic element containing a compound having a sulfinic acid group or a slat thereof is disclosed. The element is comprised of a photosensitive element and an alkaline processing composition element. The sufinic acid group or a salt thereof includes a compound represented by the general formula (Y-SO.sub.2).sub.n M wherein M is a hydrogen atom, an alkyl metal atom, an alkaline earth metal atom, an ammonium group, or an organic base; Y is an alkyl group, a substituted alkyl group, an aryl group or a substituted aryl group, and n is 1 or 2. By utilizing the compound within the processing solution it is possible to prevent the deterioration of processing composition which occurs when the material is stored for a long period of time.

  揭示了一种含有亚磺酸基或其盐的颜色扩散转移照相元素。该元素由感光元素和碱性处理组分元素组成。亚磺酸基或其盐包括由通式（Y-SO.sub.2).sub.n M 表示的化合物，其中M是氢原子、烷基金属原子、碱土金属原子、铵基团或有机碱；Y是烷基、取代烷基、芳基或取代芳基，n为1或2。通过利用处理溶液中的该化合物，可以防止材料长时间存放时处理组分的恶化。
• Thermal latent carboxyl compounds and methods of preparation thereof
  申请人：Nippon Oil and Fats Company, Limited

  公开号：US05516839A1

  公开（公告）日：1996-05-14

  A thermal latent compound which is prepared by a reaction of a polycarboxyl compound having two or more carboxyl groups in the molecule, having an acid equivalent of not more than 1000 g/mole and a number average molecular weight of not more than 4000, with a monovinyl ether compound, wherein at least two carboxyl groups are transformed into a functional group of the formula (1): ##STR1## wherein R.sup.1, R.sup.2 and R.sup.3 are each a hydrogen atom or an organic group of 1 to 18 carbon atoms, R.sup.4 is an organic group of 1 to 18 carbon atoms, Y.sup.1 is an oxygen atom or R.sup.3 and R.sup.4 are bonded together to form a heterocyclic with Y.sup.1 as a heteroatom.

  一种热潜伏化合物，通过将具有分子中两个或更多羧基团，酸当量不超过1000克/摩尔，数量平均分子量不超过4000的多羧基化合物与单乙烯醚化合物反应制备而成，其中至少有两个羧基转化为式（1）的功能基：##STR1## 其中，R.sup.1、R.sup.2和R.sup.3分别是氢原子或1至18个碳原子的有机基团，R.sup.4是1至18个碳原子的有机基团，Y.sup.1是氧原子或R.sup.3和R.sup.4与Y.sup.1形成带有杂原子的杂环。
• Thermosetting compositions, thermal latent hydroxyl compounds, thermal
  申请人：Nippon Oil and Fats Company, Limited

  公开号：US05319024A1

  公开（公告）日：1994-06-07

  Thermosetting compositions which are excellent in storage stability, useful as one component thermosetting compositions, give cured products having excellent chemical properties, physical properties and weathering resistance and favorably utilized in coating compositions, ink, adhesive and molded plastics. The thermosetting compositions comprises a compound having in the molecule two or more hydroxyl groups and/or thiol groups blocked by a vinyl ether compound, a vinyl thioether compound or a heterocyclic compound having a vinyl type double bond and oxygen or sulfur as the hetero atom, a compound having two or more reactive functional groups which can form a chemical bond with the blocked hydroxyl and/or thiol compound by heating and a thermal latent acid catalyst. The blocked hydroxyl and/or thiol group of the first compound and the reactive functional group of the second compound may be comprised in the same molecule.

  这是一种储存稳定性优异的热固性组合物，适用于单组分热固性组合物，可得到具有优异化学性能、物理性能和耐候性的固化产品，广泛用于涂料、油墨、粘合剂和模塑塑料中。该热固性组合物包括分子中具有两个或更多羟基和/或硫醇基被乙烯醚化合物、乙烯硫醚化合物或含有乙烯型双键和氧或硫作为杂原子的杂环化合物阻断的化合物，以及具有两个或更多可通过加热与被阻断的羟基和/或硫醇化合物形成化学键的反应性官能团的化合物和热潜酸催化剂。第一化合物的被阻断的羟基和/或硫醇基和第二化合物的反应性官能团可以包含在同一分子中。
• Thermosetting compositions, thermal latent carboxyl compounds and
  申请人：Nippon Oil and Fats Company, Limited

  公开号：US05352740A1

  公开（公告）日：1994-10-04

  Thermosetting composition is excellent in storage stability, useful as one component thermosetting composition, gives cured products having excellent chemical properties, physical properties and weathering resistance and is favorably utilized in coating compositions, ink, adhesive and molded plastics. The thermosetting composition comprises a compound having in the molecule two or more carboxyl groups blocked by a vinyl ether compound, a vinyl thioether compound or a hetero compound having a vinyl type double bond and oxygen or sulfur as the hetero atom, a compound having two or more reactive functional groups which can form a chemical bond with the blocked carboxyl compound by heating and optionally a thermal latent acid catalyst. The blocked carboxyl group of the first compound and the reactive functional group of the second compound may be comprised in the same molecule.

  热固性组合物在储存稳定性方面表现出色，可作为单组分热固性组合物使用，制备的固化产品具有优异的化学性质、物理性质和耐候性，广泛应用于涂料、油墨、粘合剂和模塑塑料中。该热固性组合物包括一种化合物，其分子中有两个或两个以上的羧基，被乙烯醚化合物、乙烯硫醚化合物或含有乙烯型双键和氧或硫作为杂原子的杂原子化合物所阻断；一种具有两个或两个以上可通过加热与阻断羧基化合物形成化学键的反应性官能团的化合物；以及可选的热潜伏酸催化剂。第一种化合物的阻断羧基和第二种化合物的反应性官能团可以包含在同一分子中。