4,4,5,5-tetramethylimidazolidine-2-thione | 32349-17-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 4,4,5,5-tetramethylimidazolidine-2-thione
• 英文别名: 4,4,5,5-Tetramethyl-imidazolidin-2-thion；4,4,5,5-Tetramethyl-2-imidazolidinethione
• CAS: 32349-17-0
• 化学式: C₇H₁₄N₂S
• 分子量: 158.268
• InChiKey: KKOLLCGNDRMSSZ-UHFFFAOYSA-N

物化性质

• 熔点：
  252-253 °C(Solv: ethanol (64-17-5))
• 沸点：
  184.1±23.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  56.2
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4,4,5,5-tetramethylimidazolidine-2-thione 、 1,3-二氯丙酮 以 乙腈 为溶剂， 生成 3-(chloromethyl)-5,5,6,6-tetramethyl-5,6-dihydroimidazo[2,1-b]thiazole hydrochloride
  参考文献：
  名称：

  [EN] IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS
  [FR] DÉRIVÉS D'IMIDAZOLINE UTILISÉS EN TANT QUE MODULATEURS DE CXCR4

  摘要：

  本发明提供了化合物的新结构（I）及含有这些化合物的药物组合物。式（I）化合物可以作为CXCR4调节剂，特异性靶向CXCR4小口袋，并且进一步发现能够抑制免疫细胞中炎症细胞因子的产生，使得这些化合物在治疗中具有极大的优势，特别适用于治疗或预防炎症性疾病、自身免疫性疾病、自身炎症性疾病或干扰素病，例如红斑狼疮、皮肌炎或类风湿性关节炎。

  公开号：

  WO2020201096A1
• 作为产物：
  描述：

  2,3-二甲基-2,3-丁二胺 、 alkaline earth salt of/the/ methylsulfuric acid 生成 4,4,5,5-tetramethylimidazolidine-2-thione
  参考文献：
  名称：

  The Identity of Heilpern's “Pinacolylthiourea” and the Preparation of Authentic 2-Thiono-4,4,5,5-tetramethylimidazolidine

  摘要：

  DOI：

  10.1021/ja01629a112

文献信息

• [EN] FAR SUPERIOR OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS<br/>[FR] CATALYSEURS D'OXYDATION NETTEMENT SUPÉRIEURS À BASE DE COMPOSÉS MACROCYCLIQUES
  申请人：UNIV CARNEGIE MELLON

  公开号：WO2017053564A1

  公开（公告）日：2017-03-30

  An especially robust compound and its derivative metal complexes that are approximately one hundred-fold superior in catalytic performance to the previously invented TAML analogs is provided having the formula (I) wherein Y1, Y2, Y3 and Y4 are oxidation resistant groups which are the same or different and which form 5- or 6-membered rings with a metal, M, when bound to D; at least one Y incorporates a group that is significantly more stable towards nucleophilic attack than the organic amides of TAML activators; D is a metal complexing donor atom, preferably N; each X is a position for addition of a labile Lewis acidic substituent such as (i) H, deuterium, (ii) Li, Na, K, alkali metals, (iii) alkaline earth metals, transition metals, rare earth metals, which may be bound to one or more than one D, (iv) or is unoccupied with the resulting negative charge being balanced by a nonbonded counteraction; at least one Y may contain a site that is labile to acid dissociation, providing a mechanism for shortening complex lifetime. The new complexes deliver catalytic performances that promise to revolutionize multiple oxidation technology spaces including water purification.

  提供了一种特别强大的化合物及其衍生金属配合物，其催化性能大约比先前发明的TAML类似物优越一百倍，其化学式为（I），其中Y1、Y2、Y3和Y4是抗氧化的基团，可以相同也可以不同，并且与金属M结合时形成5-或6-成员环；至少一个Y包含一个对亲核攻击更稳定的基团，比TAML活化剂的有机酰胺更稳定；D是金属络合给体原子，优选为N；每个X是用于添加易失去的Lewis酸性取代基的位置，例如（i）H、氘，（ii）Li、Na、K、碱金属，（iii）碱土金属、过渡金属、稀土金属，可以与一个或多个D结合，（iv）或者未被占据，由非键合的对应作用平衡产生的负电荷；至少一个Y可能包含一个易于酸解离的位点，提供缩短配合物寿命的机制。这些新配合物提供了催化性能，有望彻底改变多种氧化技术领域，包括水净化。
• N,N'-Dihalo-2-imidazolidinones
  申请人：PPG INDUSTRIES, INC.

  公开号：EP0239896A1

  公开（公告）日：1987-10-07

  N-chloro and N-bromo derivatives of 2-imidazolidinones having substituents at the 4 and 5 positions of the ring are described. More particularly, there are described dichloro, dibromo-, and chlorobromo- derivatives of 2-imidazolidinones having at least three substituents selected from alkyl, alkoxy, hydroxy and substituted phenyl, e.g., para-substituted phenyl, at the 4 and 5 positions on the ring. These N-halo compounds are biocides, e.g., bactericides, and are useful as disinfectants and sanitizers.

  2-imidazolidinones 的 N-chloro 和 N-bromo 衍生物在环的 4 和 5 位上有取代基。 更具体地说，2-imidazolidinones 的二氯、二溴和氯溴衍生物在环的 4 和 5 位上至少有三个取代基，这些取代基选自烷基、烷氧基、羟基和取代苯基，例如对位取代苯基。 这些 N-halo 化合物是杀生物剂，例如杀菌剂，可用作消毒剂和杀菌剂。
• DENTAL ADHESIVE MATERIAL KIT
  申请人：Kuraray Noritake Dental Inc.

  公开号：EP3391871A1

  公开（公告）日：2018-10-24

  The present invention provides a dental adhesive material kit excellent in storage stability of the materials and exhibiting excellent bond durability to dentin by photopolymerization. The present invention is a dental adhesive material kit comprising a dental aqueous adhesive composition (A) and a dental curable composition (B), wherein: the dental aqueous adhesive composition (A) comprises a (meth)acrylic polymerizable monomer (a) containing an acid group, a vanadium compound (b), water (c), a (meth)acrylic polymerizable monomer (d) containing an amino group, and a polymerization inhibitor (i); the content of the polymerization inhibitor (i) is 25 to 1000 parts by weight per 100 parts by weight of the vanadium compound (b); and the dental curable composition (B) comprises a (meth)acrylic polymerizable monomer (e) containing no acid group, a hydroperoxide (f), a photopolymerization initiator (g), and a filler (h) and does not comprise a thiourea compound.

  本发明提供了一种牙科粘合剂材料包，材料的储存稳定性极佳，通过光聚合作用与牙本质的粘合耐久性极佳。本发明是一种牙科粘接材料套件，包括牙科水性粘接剂组合物（A）和牙科固化组合物（B），其中牙科水性粘合剂组合物（A）包括含有酸基的(甲基)丙烯酸可聚合单体（a）、钒化合物（b）、水（c）、含有氨基的(甲基)丙烯酸可聚合单体（d）和聚合抑制剂（i）；聚合抑制剂 (i) 的含量为每 100 重量份钒化合物 (b) 25 至 1000 重量份；牙科固化组合物 (B) 包括不含酸基的（甲基）丙烯酸可聚合单体 (e)、过氧化氢 (f)、光聚合引发剂 (g) 和填料 (h)，且不包括硫脲化合物。
• Dental adhesive material kit
  申请人：KURARAY NORITAKE DENTAL INC.

  公开号：US10478385B2

  公开（公告）日：2019-11-19

  The present invention provides a dental adhesive material kit excellent in storage stability of the materials and exhibiting excellent bond durability to dentin by photopolymerization. The present invention is a dental adhesive material kit comprising a dental aqueous adhesive composition (A) and a dental curable composition (B), wherein: the dental aqueous adhesive composition (A) comprises a (meth)acrylic polymerizable monomer (a) containing an acid group, a vanadium compound (b), water (c), a (meth)acrylic polymerizable monomer (d) containing an amino group, and a polymerization inhibitor (i); the content of the polymerization inhibitor (i) is 25 to 1000 parts by weight per 100 parts by weight of the vanadium compound (b); and the dental curable composition (B) comprises a (meth)acrylic polymerizable monomer (e) containing no acid group, a hydroperoxide (f), a photopolymerization initiator (g), and a filler (h) and does not comprise a thiourea compound.

  本发明提供了一种牙科粘合剂材料包，材料的储存稳定性极佳，通过光聚合作用与牙本质的粘合耐久性极佳。本发明是一种牙科粘接材料套件，包括牙科水性粘接剂组合物（A）和牙科固化组合物（B），其中牙科水性粘合剂组合物（A）包括含有酸基的(甲基)丙烯酸可聚合单体（a）、钒化合物（b）、水（c）、含有氨基的(甲基)丙烯酸可聚合单体（d）和聚合抑制剂（i）；聚合抑制剂 (i) 的含量为每 100 重量份钒化合物 (b) 25 至 1000 重量份；牙科固化组合物 (B) 包括不含酸基的（甲基）丙烯酸可聚合单体 (e)、过氧化氢 (f)、光聚合引发剂 (g) 和填料 (h)，且不包括硫脲化合物。
• Far superior oxidation catalysts based on macrocyclic compounds
  申请人：Carnegie Mellon University

  公开号：US10926248B2

  公开（公告）日：2021-02-23

  An especially robust compound and its derivative metal complexes that are approximately one hundred-fold superior in catalytic performance to the previously invented TAML analogs is provided having the formula: wherein Y1, Y2, Y3 and Y4 are oxidation resistant groups which are the same or different and which form 5- or 6-membered rings with a metal, M, when bound to D; at least one Y incorporates a group that is significantly more stable towards nucleophilic attack than the organic amides of TAML activators; D is a metal complexing donor atom, preferably N; each X is a position for addition of a labile Lewis acidic substituent such as (i) H, deuterium, (ii) Li, Na, K, alkali metals, (iii) alkaline earth metals, transition metals, rare earth metals, which may be bound to one or more than one D, (iv) or is unoccupied with the resulting negative charge being balanced by a nonbonded countercation; at least one Y may contain a site that is labile to acid dissociation, providing a mechanism for shortening complex lifetime. The new complexes deliver catalytic performances that promise to revolutionize multiple oxidation technology spaces including water purification.

  一种特别强效的化合物及其衍生物金属配合物的催化性能比之前发明的 TAML 类似物高出约 100 倍，其分子式为 其中 Y1、Y2、Y3 和 Y4 是相同或不同的抗氧化基团，在与 D 结合时与金属 M 形成 5 或 6 元环；至少有一个 Y 含有比 TAML 活化剂的有机酰胺对亲核攻击更稳定的基团；D 是金属络合供体原子，最好是 N；每个 X 都是添加易受路易斯酸性取代基的位置，如 (i) H、氘，(ii) Li、Na、K、碱金属，(iii) 碱土金属、过渡金属、稀土金属，这些取代基可与一个或多个 D 结合，(iv) 或未被占用，由此产生的负电荷由非键反离子平衡；至少一个 Y 可包含一个易受酸解离的位点，为缩短络合物寿命提供了机制。新复合物具有催化性能，有望彻底改变包括水净化在内的多个氧化技术领域。