3-氯-4,4-二甲基-2-恶唑烷酮 | 58629-01-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 3-氯-4,4-二甲基-2-恶唑烷酮
• 英文名称: 3-chloro-4,4-dimethyl-2-oxazolidinone
• 英文别名: N-chloro-4,4-dimethyl-2-oxazolidinone；3-chloro-4,4-dimethyl-1,3-oxazolidin-2-one
• CAS: 58629-01-9
• 化学式: C₅H₈ClNO₂
• 分子量: 149.577
• InChiKey: HUPNLWZFGMGNKB-UHFFFAOYSA-N

物化性质

• 沸点：
  149.8±23.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  三丁基(1-甲基烯丙基)锡 、 3-氯-4,4-二甲基-2-恶唑烷酮 在 过氧化苯甲酰 作用下， 生成 3-α-Methylallyl-4.4-dimethyl-2-oxazolidinon
  参考文献：
  名称：

  3-氯-4,4-二甲基-2-恶唑烷酮与烯丙基锡烷和烯丙基硅烷的自由基加成

  摘要：

  发现 3-氯-4,4-二甲基-2-恶唑烷酮 (NCDMO) 与烯丙基锡烷和烯丙基硅烷的自由基反应得到 3-烯丙基-4,4-二甲基-2-恶唑烷酮。产物的形成被解释为酰氨基的加成。NCDMO 不与普通烯烃反应，这可能是由于抑制了 NCDMO 与烯烃的加合物产生的烯胺的行为。

  DOI：

  10.1246/cl.1977.801

文献信息

• [EN] BIOCIDAL COMPOUNDS AND METHODS FOR USING SAME<br/>[FR] COMPOSÉS BIOCIDES ET PROCÉDÉS D'UTILISATION ASSOCIÉS
  申请人：UNIV MANITOBA

  公开号：WO2013173905A1

  公开（公告）日：2013-11-28

  Biocidally active cationic analogs of N-halamine having two biocidally active groups covalently bonded together in a single molecule and having general Formula (I). Compounds of Formula (I), and precursurs thereof, can be in solution form immobilized onto a substrate via physical coating or covalent chemical bonding to functionalize surfaces or added into materials as additives so as to render them biocidal. The biocidal solutions and substrates comprising the compounds or precursors of the present invention can then be used to inactivate pathogenic microorganisms. N-halamine-L-QUAT (I) wherein: the N-halamine may be a cyclic or acyclic N-halamine; L is C1-C6 alkyl, cyclic aromatic or non-aromatic ring, ether, ketone or any other organic linking structures, and QUAT has general formula ( II):

  具有两个生物杀菌活性基团共价结合在一起的N-卤胺阳离子类生物杀菌活性类似物，以单一分子的形式具有通用式(I)。通式(I)的化合物及其前体可以以溶液形式固定到基质上，通过物理涂层或共价化学键结合来功能化表面，或者作为添加剂加入材料中，使其具有生物杀菌性能。本发明的化合物或前体组成的生物杀菌溶液和基质可以用于灭活致病微生物。N-卤胺-L-QUAT (I)其中：N-卤胺可以是环状或非环状N-卤胺；L为C1-C6烷基，环芳香或非芳香环，醚，酮或任何其他有机连接结构，QUAT具有通式(II)。
• METHOD FOR INHIBITING BIOFILM GROWTH
  申请人：Pickens Stanley R.

  公开号：US20090184062A1

  公开（公告）日：2009-07-23

  The growth of biofilm present in open recirculating water systems is inhibited by introducing into the water comprising such a water system (a) a source of free halogen, e.g. e chlorine and (b) a source of di(lower alkyl) substituted-2-oxazolidinone, the mole ratio of (a) to (b) and the combined amount of (a) and (b) being sufficient to at least inhibit the growth of the biofilm, e.g., the bacteria comprising the biofilm, the source of free available halogen being present in less than biostatic amounts.

  在开放循环水系统中生物膜的生长被抑制，方法是向组成该水系统的水中引入（a）自由卤素的来源，例如氯和（b）二（较低烷基）取代-2-噁唑烷酮的来源，其中（a）与（b）的摩尔比和（a）和（b）的综合量足以至少抑制生物膜的生长，例如，包括生物膜的细菌，自由可用卤素的来源以低于生物静态的量存在。
• Biocidal methods for recirculating water systems
  申请人：UNIVERSITY OF HOUSTON

  公开号：EP0403465A1

  公开（公告）日：1990-12-19

  Improved biocidal composition and method for controlling biofouling and microorganism population levels in recirculating water systems such as cooling towers, swimming pools or spas is disclosed and claimed. The composition comprises a hypochlorite donor and a bromide ion donor in proportions selected to maintain a mole ratio of the sum of all bromine containing species to the sum of all hypohalite species in the recirculating water of about 0.2 to about 20. The method comprises introducing into the recirculating water a mixture or combination of a hypochlorite donor and a bromide ion donor in an amount sufficient to maintain a ratio of the sum of all bromine containing species to the sum of all species in the recirculating water in the range of about 0.2 to about 20. In addition, a bromine volatilization suppressant may be introduced into the recirculating water to inhibit loss of bromide ion through volatilization of bromine containing species formed by reaction of the hypochlorite donor and the bromide ion donor. One or more scale inhibitors and compacting aids may also be added.

  本发明公开了用于控制冷却塔、游泳池或水疗池等循环水系统中生物污垢和微生物数量的改进型杀菌组合物和方法。该组合物由次氯酸盐供体和溴离子供体组成，其比例可选，以保持循环水中所有含溴物种之和与所有次氯酸盐物种之和的摩尔比约为 0.2 至约 20。该方法包括向循环水中引入次氯酸盐供体和溴离子供体的混合物或组合，其用量足以维持循环水中所有含溴物种之和与所有物种之和的比率在约 0.2 至约 20 的范围内。此外，还可在循环水中加入溴挥发抑制剂，以抑制次氯酸盐供体和溴离子供体反应形成的含溴物种挥发而造成的溴离子损失。还可添加一种或多种阻垢剂和密实助剂。
• Ophthalmic devices containing heterocyclic compounds and methods for their production
  申请人：Johnson & Johnson Vision Care, Inc.

  公开号：EP1327893A1

  公开（公告）日：2003-07-16

  This invention relates to ophthalmic devices and methods for their production where the ophthalmic device contain a polymer and at least one heterocyclic compound comprising at least one N-Cl and/or N-Br bond.

  本发明涉及眼科设备及其生产方法，其中眼科设备包含聚合物和至少一种杂环化合物，杂环化合物包含至少一个 N-Cl 和/或 N-Br 键。
• COMPOSITION FOR THE PREVENTION AND ELIMINATION OF ODORS
  申请人：OxiScience LLC

  公开号：EP3348144A2

  公开（公告）日：2018-07-18

  Articles can be provided with a high level of odor resistance by applying a dispersion of a halogenated heterocyclic N-halamine in an inert liquid carrier to the surface of the article and allowing the inert liquid carrier to penetrate into the article. However, it is important for the inert liquid carried not to react with halogen atoms in the halogenated heterocyclic N-halamine, and for the halogenated heterocyclic N-halamine to become deposited on the surface of the article after the inert liquid carrier penetrates into the article. This method can be used to provide a high level of odor resistance to a wide variety of substrates. It is of particular value for use in manufacturing garbage bags having a high level of odor resistance. It can also be used to deposit other functional particulates onto the surface of substrates that have porosity sufficient to take up the vehicle, including oxidants that may display antimicrobial and enzyme inhibitory efficacy, including, but not limited to N-halamines, and toxin interaction potentials both through oxidative degradation of toxic substances in air and water, and through adsorption interactions, such as fluoride uptake by metal oxide microparticles.

  将卤化杂环 N-卤胺在惰性液体载体中的分散液涂在物品表面，并让惰性液体载体渗入物品内部，可使物品具有较高的防臭性。然而，重要的是惰性液体载体不能与卤化杂环 N-卤胺中的卤素原子发生反应，并且在惰性液体载体渗入物品后，卤化杂环 N-卤胺要沉积在物品表面。这种方法可用于为各种基材提供高水平的抗异味能力。这种方法尤其适用于制造具有高抗臭性的垃圾袋。它还可用于将其他功能性微粒沉积到基材表面，这些基材具有足以吸收载体的孔隙率，其中包括可能具有抗菌和酶抑制功效的氧化剂，包括但不限于 N-卤胺，以及通过氧化降解空气和水中的有毒物质和通过吸附相互作用（如金属氧化物微粒对氟化物的吸收）产生的毒素相互作用潜力。