5,6-二氢-2-甲基-2H-环戊并[D]异噻唑-3(4H)-酮 | 82633-79-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5,6-二氢-2-甲基-2H-环戊并[D]异噻唑-3(4H)-酮
• 英文名称: 2-methyl-4,5-trimethylene-4-isothiazolin-3-one
• 英文别名: MTI；4,5-trimethylene-2-methylisothiazolin-3-one；4,5-trimethylene-2-methyl-3-isothiazolone；2-methyl-4,5-trimethylene-4-isothiazoline-3-on；2-methyl-4,5-trimethylene-4-isothiazoline-3-one；2-methyl-4,5-trimethylene isothiazolin-3-one；2-methyl-4,5-trimethylene-3-isothiazolone；2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one
• CAS: 82633-79-2
• 化学式: C₇H₉NOS
• mdl: MFCD04034637
• 分子量: 155.221
• InChiKey: PZOGAKOZVSTZSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  T,N
• 安全说明：
  S22,S26,S36/37/39,S45,S60,S61
• 危险类别码：
  R25,R41,R43,R50/53
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  5,6-二氢-2-甲基-2H-环戊并[D]异噻唑-3(4H)-酮 以 甲醇 、 水 为溶剂， 生成 1-tertiarybutyldithio-2-methylaminocarbonylcyclopentene
  参考文献：
  名称：

  Compound, use and preparation

  摘要：

  该公式化合物为：##STR1## 其中，R.sup.1和R.sup.2在一起表示具有3或4个碳原子的聚亚甲基链，或者是具有3或4个碳原子的聚亚甲基链，其上至少取代有一个1至4个碳原子的低烷基基团；R.sup.3为氢、烃基或取代烃基，X表示氰基、--SO.sub.3 M基团或--S--R.sup.4基团，其中M为氢或碱金属如钠，R.sup.4为烃基或取代烃基。通常R.sup.1和R.sup.2组成一个环戊烯环，R.sup.3为烷基如甲基，X为--SO.sub.3 Na基团。这些化合物具有微生物活性。

  公开号：

  US05290810A1
• 作为产物：
  描述：

  N-甲基-2-氧代环戊烷甲酰胺 在 碳酸氢钠 作用下， 以 乙醇 、 水 、 乙酸乙酯 为溶剂， 生成 5,6-二氢-2-甲基-2H-环戊并[D]异噻唑-3(4H)-酮
  参考文献：
  名称：

  4,5-trimethylene-4-isothiazoline-3-ones and their use as a bactericide

  摘要：

  该文本描述的是一种化合物，化学式为##STR1##，其中R.sub.1代表(i)氢、(ii)具有1-12个碳原子的烷基、(iii)具有1或2个羟基取代的2或3个碳原子的烷基、(iv)具有3到6个碳原子的烯基、(v)##STR2##其中n为0或1，m为1或2，R.sup.1为氢或1到5个碳原子的低烷基，R.sub.2为氢、低烷基、硝基、三氟甲基或卤素、(vi)具有3到6个碳原子的环烷基和(vii)##STR3##其中R.sub.3为氢、具有1-12个碳原子的烷基或上述定义的##STR4##，或其与矿物酸或有机酸的盐。这些化合物可用作杀菌剂或杀真菌剂。

  公开号：

  US04708959A1

文献信息

• Alkoxy disulfides as antimicrobial agents
  申请人：ROHM AND HAAS COMPANY

  公开号：EP1008296A1

  公开（公告）日：2000-06-14

  Disclosed is a method of inhibiting the growth of microorganisms in, at, or on a locus subject to microbial attack, comprising introducing to said locus an antimicrobially effective amount of at least one alkoxy disulfide of formula:R1-CHR3-O-S-S-O-CHR4-R2 wherein: R1, R2are independently selected from 5- or 6-membered aromatic rings, optionally substituted with up to 3 e· donating substituents of which 2 can optionally be combined to form another ring; and R3, R4are independently selected from H, CH3, or CH2CH3.

  揭示了一种抑制微生物在受微生物攻击的位置生长的方法，包括向该位置引入至少一种符合以下式的烷氧基二硫化物的抗微生物有效量：R1-CHR3-O-S-S-O-CHR4-R2其中：R1，R2分别选自5-或6-成员芳香环，可选择地取代多达3个e·供体取代基，其中2个可选择地结合形成另一个环；而R3，R4分别选自H，CH3或CH2CH3。
• [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。
• Synergetic biocidal composition comprising 2-methylisothiazoline-3-on
  申请人：——

  公开号：US20040014799A1

  公开（公告）日：2004-01-22

  The invention relates to a biocidal composition which can be added to materials which can be attacked by harmful micro-organisms. The composition comprises 2-methylisothiazoline-3-on as biocidal active ingredient and at least one other biocidal active ingredient. The biocidal composition is characterised in that the composition contains formaldehyde or a formaldehyde-depot material, 2-brom-2-nitro-1,3 propandiol, polyhexamethylene biguanide, o-phenylphenol, pyrithione, n-butyl-1,2-benzisothiazoline-3-on, n-hydroxymenthyl-1,2-benzisothiazoline-3-on or benzalkonium chloride as said other biocidal active ingredient.

  本发明涉及一种生物杀菌组合物，可添加到可能被有害微生物攻击的材料中。该组合物包括2-甲基异噻唑啉-3-酮作为生物杀菌活性成分，以及至少一种其他生物杀菌活性成分。该生物杀菌组合物的特点在于，组合物含有甲醛或甲醛储存材料、2-溴-2-硝基-1,3-丙二醇、聚己亚胺大环内酰胺、o-苯基酚、吡啶硫烷、n-丁基-1,2-苯并异噻唑啉-3-酮、n-羟甲基-1,2-苯并异噻唑啉-3-酮或苯扎氯铵作为所述其他生物杀菌活性成分。
• 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] COMPOSITION COMPRISING AN ACIDIC COPOLYMER AND AN ANTIMICROBIAL AGENT AND USE THEREOF<br/>[FR] COMPOSITION CONTENANT UN COPOLYMERE ACIDE ET UN AGENT ANTIMICROBIEN, ET SON UTILISATION
  申请人：ARCH UK BIOCIDES LTD

  公开号：WO2004100664A1

  公开（公告）日：2004-11-25

  A composition comprising: (i) an anti-microbial agent; and (ii) an acidic co-polymer of the Formula (1) wherein: [A] is of Formula (9), [B] is of Formula (10), and [C] is of Formula (12) wherein: [X] is of Formula (11), wherein [A], [B] and [C] may occur in any order; T is an optionally substituted substituent; L and G each independently is an optionally substituted linking group; R1, R2 and R3 are each independently H, optionally substituted C1-20-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; b is 0, 1, or 2; m is 0 to 350; n is 1 to 75; v is 1 to 100; and w is 1 to 4; provided that at least one of R4 and R5 is H and provided that R1, R2, R3, T, L, J and G do not contain a basic group; and wherein the pka value of the acidic substituent F on the monomer from which [C] is derived is less than 5.5.

  一种组合物，包括：(i)一种抗微生物剂；和(ii)式(1)的酸性共聚物，其中：[A]为式(9)，[B]为式(10)，[C]为式(12)，其中：[X]为式(11)，[A]、[B]和[C]可以以任何顺序出现；T是可选取代基；L和G各自独立地为可选取代连接基团；R1、R2和R3各自独立地为H、可选取代的C1-20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；q为15到1000；p为3到50；J为可选取代的烃基团；F为酸性取代基；b为0、1或2；m为0到350；n为1到75；v为1到100；w为1到4；至少R4和R5中的一个为H，并且R1、R2、R3、T、L、J和G不含有碱性基团；其中，[C]所衍生的单体中酸性取代基F的pka值小于5.5。