2-(tert-butyl)-2,3-dihydrobenzo[d]isothiazole 1-oxide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-(tert-butyl)-2,3-dihydrobenzo[d]isothiazole 1-oxide
• 英文别名: 2-tert-butyl-3H-1,2-benzothiazole 1-oxide
• 化学式: C₁₁H₁₅NOS
• 分子量: 209.312
• InChiKey: MNHPSOVFOHXNFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  39.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-碘苄醇 在 manganese(IV) oxide 、 potassium pyrosulfite 、 三正丁胺 、 palladium diacetate 、 三环己基膦 作用下， 以 甲醇 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 14.0h， 生成 2-(tert-butyl)-2,3-dihydrobenzo[d]isothiazole 1-oxide
  参考文献：
  名称：

  以K 2 S 2 O 5为二氧化硫替代物的Pd催化选择性合成环状磺酰胺和亚磺酰胺

  摘要：

  在Pd催化下，使用带有氨基的卤代芳烃和二氧化硫（SO 2）替代物可以选择性合成各种环状磺酰胺和亚磺酰胺。碱的量是决定选择性的关键。机理研究表明，亚硫酰胺最初是通过空前的一氧化硫形式化插入而形成的，并在存在碘离子和DMSO的情况下被氧化为磺酰胺。

  DOI：

  10.1021/acs.orglett.7b00402

文献信息

• [EN] ANTIMICROBIAL COMPOPSITION COMPRISING A POLYMERIC BIGUANIDE AND A COPOLYMER AND THEIR USE THEREOF<br/>[FR] COMPOSITION ANTIMICROBIENNE CONTENANT UN BIGUANIDE POLYMERIQUE ET UN COPOLYMERE ET UTILISATION ASSOCIEE
  申请人：ARCH UK BIOCIDES LTD

  公开号：WO2004100663A1

  公开（公告）日：2004-11-25

  The present invention relates to a composition comprising: (i) an antimicrobial agent; and (ii) a non-ionic co-polymer of Formula (1) wherein: [A] is of Formula (9), [B] is of Formula (10), and [X] is of Formula (11), wherein [A] and [B] may be in any order; T is an optionally substituted substituent; L is an optionally substituted linking group; R1, R2 and R3 are each independently H, optionally substituted C1-20-alkyl or optionally substituted C 3-20-cycloalkyl; R4 and R5 are each independently H or C1-4alkyl; q is 15 to 1000; p is 3 to 50; and the molar ratio of [A] to [B] (m:n), is 1:10 to 10:1; provided that R1, R2, R3, T and L do not contain an ionisable group and provided that at least one of R4 and R5 is H.

  本发明涉及一种组合物，包括：(i)一种抗菌剂；和(ii)一种非离子共聚物，其化学式为(1)，其中：[A]的化学式为(9)，[B]的化学式为(10)，[X]的化学式为(11)，其中[A]和[B]可以以任何顺序存在；T是可选的取代基；L是可选的取代连接基；R1、R2和R3分别是H、可选的取代C1-20烷基或可选的取代C3-20环烷基；R4和R5分别是H或C1-4烷基；q为15至1000；p为3至50；[A]与[B]的摩尔比(m:n)为1:10至10:1；但要求R1、R2、R3、T和L不含有离子化基团，并且至少有一个R4和R5是H。
• Composition and use
  申请人：Hodge John David

  公开号：US20050008534A1

  公开（公告）日：2005-01-13

  The present invention relates to a composition comprising: (i) an anti-microbial agent comprising a polymeric biguanide, alone or in combination with at least one other microbiologically active component selected from the group consisting of quaternary ammonium compounds, monoquaternary heterocyclic amine salts, urea derivatives, amino compounds, imidazole derivatives, nitrile compounds, tin compounds or complexes, isothiazolin-3-ones, thiazole derivatives, nitro compounds, iodine compounds, aldehyde release agents, thiones, triazine derivatives, oxazolidine and derivatives thereof, furan and derivatives thereof, carboxylic acids and the salts and esters thereof, phenol and derivatives thereof, sulphone derivatives, imides, thioamides, 2-mercapto-pyridine-N-oxide, azole fungicides, strobilurins, amides, carbamates, pyridine derivatives, compounds with active halogen groups, and organometallic compounds; and (ii) an amphoteric co-polymer of the Formula (1): wherein: [A] is of Formula (9), [B] is of Formula (10), [C] is of Formula (12), [D] is of Formula (13), and X is of Formula (11), wherein [A], [B], [C] and [D] may occur in any order; T is an optionally substituted substituent; L, G and Z each independently is an optionally substituted linking group; R 1 , R 2 and R 3 are each independently H, optionally substituted C 1-20 -alkyl or optionally substituted C 3-20 -cycloalkyl; R 4 and R 5 are each independently H or C 1-4 -alkyl; q is 15 to 1000; p is 3 to 50; J is an optionally substituted hydrocarbyl group; F is an acidic substituent; E is a basic substituent; m is 0 to 350; n is 1 to 75; v is 0 to 100; y is 1 to 100; b is 0, 1 or 2; s is 0 or 1; w is 1 to 4; and provided that at least one of R 4 and R 5 is H.

  本发明涉及一种组合物，包括：（i）一种抗微生物剂，包括聚合物双胍，单独或与从季铵化合物、单季铵杂环胺盐、脲衍生物、氨基化合物、咪唑衍生物、腈化合物、锡化合物或配合物、异噻唑啉-3-酮、噻唑衍生物、硝基化合物、碘化合物、醛释放剂、硫醇、三嗪衍生物、氧氮杂环和其衍生物、呋喃和其衍生物、羧酸及其盐和酯、酚及其衍生物、磺酰基衍生物、酰亚胺、硫酰胺、2-巯基吡啶-N-氧化物、唑类杀菌剂、链霉素、酰胺、氨基甲酸酯、吡啶衍生物、具有活性卤素基团的化合物和有机金属化合物中选择至少一种其他微生物活性成分组合而成；和（ii）式（1）的两性共聚物：其中：[A]为式（9）；[B]为式（10）；[C]为式（12）；[D]为式（13）；且X为式（11），其中[A]，[B]，[C]和[D]可以以任何顺序出现；T为可选的取代基；L，G和Z各自独立地为可选的取代连接基；R1，R2和R3各自独立地为H，可选的取代C1-20烷基或可选的取代C3-20环烷基；R4和R5各自独立地为H或C1-4烷基；q为15至1000；p为3至50；J为可选的取代的烃基；F为酸性取代基；E为碱性取代基；m为0至350；n为1至75；v为0至100；y为1至100；b为0、1或2；s为0或1；w为1至4；并且至少R4和R5中的一个为H。
• [EN] ANTIMICROBIAL COMPOSITION CONTAINING A POLYMERIC BIGUADINE AND A COPOLYMER AND USE THEREOF<br/>[FR] COMPOSITION ANTIMICROBIENNE CONTENANT UN BIGUANIDE POLYMERIQUE ET UN COPOLYMERE ET SON APPLICATION
  申请人：ARCH UK BIOCIDES LTD

  公开号：WO2004100666A1

  公开（公告）日：2004-11-25

  The present invention relates to a composition comprising: an anti-microbial agent comprising a polymeric biguanide, alone or in combination with at least one other microbiologically active component selected from the group consisting of quaternary ammonium compounds, monoquaternary heterocyclic amine salts, urea derivatives, amino compounds, imidazole derivatives, nitrile compounds, tin compounds or complexes, isothiazolin-3-ones, thiazole derivatives, nitro compounds, iodine compounds, aldehyde release agents, thiones, triazine derivatives, oxazolidine and derivatives thereof, furan and derivatives thereof, carboxylic acids and the salts and esters thereof, phenol and derivatives thereof, sulphone derivatives, imides, thioamides, 2-mercapto-pyridine-N-oxide, azole fungicides, strobilurins, amides, carbamates, pyridine derivatives, compounds with active halogen groups, and organometallic compounds; and an amphoteric co-polymer of the Formula (1); wherein [A] is of Formula (9), [B] is of Formula (10), [C] is of Formula (12), [D] is of Formula (13), and X is of Formula (11),wherein [A], [B], [C] and [D] may occur in any order; T is an optionally substituted substituent; L, G and Z each independently is an optionally substituted linking group; R1, R2 and R3 are each independently H, optionally substituted Cl-20-alkyl or optionally substituted C3-20-cycloalkyl; R4 and R5 are each independently H or C1-4-alkyl; q is 15 to 1000; p is 3 to 50; J is an optionally substituted hydrocarbyl group; F is an acidic substituent; E is a basic substituent; m is 0 to 350; n is 1 to 75; v is 0 to 100; y is 1 to 100; b is 0, 1 or 2; s is 0 or 1; w is 1 to 4; and provided that at least one of R4 and R5 is H.

  本发明涉及一种组合物，包括：一种抗微生物剂，包括聚大双胍，单独使用或与至少一种从季铵化合物、单季铵杂环胺盐、脲衍生物、氨基化合物、咪唑衍生物、腈化合物、锡化合物或配合物、异噻唑啉-3-酮、噻唑衍生物、硝基化合物、碘化合物、醛释放剂、硫醇、三嗪衍生物、噁唑烷及其衍生物、呋喃及其衍生物、羧酸及其盐和酯、苯酚及其衍生物、磺酰衍生物、亚酰胺、硫代酰胺、2-巯基吡啶-N-氧化物、咪唑类杀菌剂、斑点灵、酰胺、氨基甲酸酯、吡啶衍生物、具有活性卤素基团的化合物和有机金属化合物中选择的至少一种具有微生物活性成分；以及公式（1）的两性共聚物，其中[A]为公式（9），[B]为公式（10），[C]为公式（12），[D]为公式（13），X为公式（11），其中[A]，[B]，[C]和[D]可以以任何顺序出现；T是可选取代基；L，G和Z各自独立地是可选取代的连接基；R1，R2和R3各自独立地是H、可选取代的Cl-20-烷基或可选取代的C3-20-环烷基；R4和R5各自独立地是H或C1-4-烷基；q为15至1000；p为3至50；J为可选取代的烃基；F为酸性取代基；E为碱性取代基；m为0至350；n为1至75；v为0至100；y为1至100；b为0、1或2；s为0或1；w为1至4；并且至少有一个R4和R5为H。
• [EN] ANTIMICROBIAL COMPOSITION COMPRISING A POLYMERIC BIGUANIDE AND A COPOLYMER AND USE THEREOF<br/>[FR] COMPOSITION ANTIMICROBIENNE CONTENANT UN BIGUANIDE DE POLYMERE AINSI QU'UN COPOLYMERE ET SON UTILISATION
  申请人：ARCH UK BIOCIDES LTD

  公开号：WO2004100665A1

  公开（公告）日：2004-11-25

  The present invention relates to a composition comprising: (i) an anti-microbial agent; and (ii) a basic co-polymer of the Formula (1):) wherein [A] is of Formula (9), [B] is of Formula (10), and [D] is of Formula (12), Formula (13) X is of Formula (11), wherein [A], [B] and [D] may occur in any order; T is an optionally substituted substituent; L and Z each independently is an optionally substituted linking group; R1, R2 and R3 are each independently H; optionally substituted Cl-20-alkyl or optionally substituted C3-20-cycloalkyl; R4 and R5 are each independently H or C1-4-alkyl; E is a basic substituent; q is 15 to 1000; m is 0 to 350; n is 1 to 75; y is 1 to 100; s is 0 or 1; p is 3 to 50; and provided that at least one of R4 and R5 is H and provided that R1, R2, R3, T, L and Z do not contain an acidic group which can protonate E on [D].

  本发明涉及一种组合物，包括：(i)一种抗微生物剂；以及(ii)一种公式(1)的碱性共聚物：其中[A]为公式(9)，[B]为公式(10)，[D]为公式(12)，公式(13)中X为公式(11)，其中[A]、[B]和[D]可以以任何顺序出现；T为可选取代基；L和Z各自独立地为可选取代的连接基；R1、R2和R3各自独立地为H、可选取代的Cl-20-烷基或可选取代的C3-20-环烷基；R4和R5各自独立地为H或C1-4-烷基；E为碱性取代基；q为15至1000；m为0至350；n为1至75；y为1至100；s为0或1；p为3至50；并且至少R4和R5中的一个为H，且R1、R2、R3、T、L和Z不含有可以质子化[D]上的E的酸性基团。
• Substituted aromatic biologically active compound, a process for its preparation and its use as biocide
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0018100A2

  公开（公告）日：1980-10-29

  A method for protecting a medium from attack by micro-organisms by addition of a biocide containing an aromatic ring carrying a thiocyanate and a carbamoyl group in ortho-relationship to each other. Also claimed is the biocide in which either the ring system or the carbamoyl group carries another substituent. The biocide is parti- oularly useful in aqueous media such as cooling water, paper mill liquor, aqueous oil emulsions and water-based paints or paint films derived therefrom.

  一种保护介质不受微生物侵蚀的方法，方法是加入一种杀菌剂，该杀菌剂含有一个芳香环，环上带有相互正交的硫氰酸基和氨基甲酰基。此外，该杀菌剂的环系或氨基甲酰基还带有另一个取代基。该杀菌剂部分适用于水性介质，如冷却水、造纸液、水性油乳剂和水性涂料或由此产生的漆膜。