2,4-bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetane-2,4-disulfide | 7259-85-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,4-bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetane-2,4-disulfide
• 英文别名: 4-methoxyphenylphosphine disulfide；4-Methoxyphenyl-dithiophosphonsaeureanhydrid；p-methoxyphenylthionophosphine sulfide；4-methoxyphenylthionophosphine sulfide；p-anisylthionophosphine sulfide
• CAS: 7259-85-0
• 化学式: C₇H₇OPS₂
• 分子量: 202.238
• InChiKey: NSXWVWBHCINPIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  73.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,4-bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetane-2,4-disulfide 以 甲苯 为溶剂， 生成 3-甲基-3-氮杂双环[2.2.2]辛烷-2-硫酮
  参考文献：
  名称：

  Biologically active heterobicyclic hydroximidates and

  摘要：

  描述了Formula I的新异双环化合物，以及制备这些化合物和杀虫剂组合物的方法。

  公开号：

  US04424213A1
• 作为产物：
  描述：

  劳森试剂 生成 2,4-bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetane-2,4-disulfide
  参考文献：
  名称：

  Unravelling Lawesson's reagent: the structure of monomeric (4-methoxyphenyl)phosphine disulfide

  摘要：

  “(4-甲氧基苯基)二硫化亚磷分子首次在固体惰性气体基质中生成并随后被分离。”

  DOI：

  10.1039/c8cc00034d
• 作为试剂：
  描述：

  3-氨基-2-甲基-4(3H)喹唑啉酮 在 2,4-bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetane-2,4-disulfide 作用下， 以 甲苯 为溶剂， 以60%的产率得到2,2’’-dimethyl-3H,3’’H-dispiro [quinazoline-4,2’-[1,3]dithietane-4’,4’’-quinazoline]-3,3’’-diamine
  参考文献：
  名称：

  Synthesis and Antimicrobial Evaluation of New 2-Methylquinazolin-4(3H)-one Phosphorothioates

  摘要：

  A SERIES of new compounds characterized by presence of quinazoline scaffold and phosphorothioate moiety in their molecular structure, was prepared through reacting Japanese reagent (JR, 1a) and Lawesson reagent (LR, 1b) with quinazoline-4-ones (3a-e) in boiling toluene. The expected quinazoline-4-thiones were also formed and well identified. Molecular docking studies were performed to determine the molecular affinity between the new products and the target protein. The starting quinazolines and ten of the new products were in vitro evaluated as antimicrobial agents using Cephradine and Fluconazole as reference drugs for antibacterial and antifungal assays, respectively. Of particularly, the dioxathiaphosphinane (12) and benzoxaphospholylidene (17) exhibited 15% potent inhibition that equals to Cephradine against Escherichia coli strains.

  DOI：

  10.21608/ejchem.2019.11548.1736

文献信息

• Synthesis of adamantane derivatives. LXVIII. Cycloaddition reactions of 2-(1-adamantyl)-1,3-butadiene and -heterodienes.
  作者：TADASHI SASAKI、KAZUO SHIMIZU、MASATOMI OHNO

  DOI：10.1248/cpb.32.1433

  日期：——

  2-(1-Adamantyl)-1, 3-butadiene (1) was prepared by p-toluenesulfonic acid-catalyzed dehydration of the corresponding allyl alcohol 5. The Diels-Alder reactions of 1 with a variety of dienophiles proceeded smoothly to give adamantane-substituted six-membered carbo-and heterocycles. Similarly, [4+2] cycloaddition reactions of adamantane-bearing heterodienes afforded some adamantyl-oxazines.

  2-(1-金刚烷基)-1,3-丁二烯 (1) 是通过对甲苯磺酸催化的相应烯丙醇5的脱水反应制备的。1与多种二烯亲和物进行的Diels-Alder反应顺利进行，生成了金刚烷取代的六元碳环和杂环化合物。同样地，带有金刚烷的杂二烯的[4+2]环加成反应也得到了一些金刚烷基-嗪类化合物。
• LIQUID-CRYSTAL COMPOUNDS, LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY ELEMENT CONTAINING THE SAME
  申请人：——

  公开号：US20020015804A1

  公开（公告）日：2002-02-07

  There can be provided a liquid crystalline compound expressed by the general formula (1): 1 wherein R represents a hydrogen atom, a cyano group, a halogen atom, a C 1 to C 20 alkyl group or a halogenated alkyl group, B1, B2, B3 and B4 are independently a covalent bond or a C 1 to C 4 alkylene group, n1, n2, n3, n4, m1, m2 and m3 are independently 0 or 1, rings A1, A2, A3 and A4 are independently a benzene ring in which one to four hydrogen atoms may be replaced by halogen atoms, bicyclo[1.1.1]pentane ring, bicyclo[2.1.1]hexane ring, bicyclo[2.2.1]heptane ring, bicyclo[2.2.2]octane ring, naphthalene ring, 1,2,3,4-tetrahydronaphthalene ring, perhydronaphthalene ring, fluorene ring, phenanthrene ring, 9,10-dihydrophenanthrene ring, indan ring, indene ring, pyridine ring, pyrimidine ring, C 4 to C 20 cycloalkane ring or cycloalkene ring, G represents any one of groups represented by the formulae (G1) to (G3): 2 wherein Q 1 , Q 2 , Q 3 and Q 4 are independently a covalent bond, an oxygen atom, a sulfur atom, —CH 2 —, —CH 2 CH 2 —, —CH═CH—, —CO—, —CF═CF— or —CF 2 —, the number of covalent bonds is 2 or less, Q 1 and Q 4 are preferential, the oxygen atom and the sulfur atom are not adjacent to each other, Q 5 and Q 6 are independently ═CH—, ═CF— or ═CCl—, Y 1 and Y 2 are independently a hydrogen atom, a halogen atom, a cyano group, a nitro group, an amino group, or a C 1 to C 20 alkyl group or halogenated alkyl group, as well as a liquid crystal composition comprising the same, and a liquid crystal display device fabricated by using the same, and these are used in various liquid crystal display devices including TFT type.

  可以提供一个液晶化合物，其通式（1）表示为：其中，R表示氢原子，氰基，卤原子，C1到C20烷基或卤代烷基；B1，B2，B3和B4分别是共价键或C1到C4亚烷基基团；n1，n2，n3，n4，m1，m2和m3分别是0或1；环A1，A2，A3和A4分别是苯环，其中1到4个氢原子可以被卤原子取代，双环[1.1.1]戊烷环，双环[2.1.1]己烷环，双环[2.2.1]庚烷环，双环[2.2.2]辛烷环，萘环，1,2,3,4-四氢萘环，全氢萘环，芴环，菲环，9,10-二氢菲环，茚环，吲哚环，吡啶环，嘧啶环，C4到C20环烷基环或环烯基环；G表示由式（G1）至（G3）表示的任一基团：其中，Q1，Q2，Q3和Q4分别是共价键，氧原子，硫原子，-CH2-，-CH2CH2-，-CH=CH-，-CO-，-CF=CF-或-CF2-，共价键数不超过2，优选Q1和Q4，氧原子和硫原子不相邻，Q5和Q6分别是-H，-F或-Cl，Y1和Y2分别是氢原子，卤原子，氰基，硝基，氨基或C1到C20烷基或卤代烷基；以及包含该化合物的液晶组合物和使用该组合物制造的液晶显示装置，这些可以用于各种液晶显示装置，包括TFT类型。
• Dimer and trimer calix[4]arenes containing multiple metallocene redox-active centres. Single-crystal X-ray structure of a bis(ferrocene)-bis(p-t-butylcalix[4]-arene) hydrophobia host molecule
  作者：Paul D. Beer、Anthony D. Keefe、Alexandra M. Z. Slawin、David J. Williams

  DOI：10.1039/dt9900003675

  日期：——

  cone conformations with a metallocene metal atom transannular Fe ⋯ Fe separation of 5.9 Å. The reaction of 1,1′-bis(chlorocarbonyl)cobaltocenium chloride (5) and p-t-butylcalix[4]arene gave a cobaltocenium–bis(p-t-butylcalix[4]arene) dimer (6). A ferrocene–calix[4]arene trimer (7) was isolated from the reaction of (1) and calix[4]arene. Solution variable-temperature 1H n.m.r. studies show (3) and (4) to

  1,1'-双（氯羰基）二茂铁（1）和1,1'-双（氯羰基）钌茂金属（2）与对叔丁基杯[4]芳烃的缩合产生了各自新的氧化还原活性茂金属-杯[4]芳烃二聚体（3）和（4）。对（3）的X射线衍射研究表明，两个杯[4]芳烃呈圆锥形，茂金属金属原子的跨环Fe⋯Fe分离度为5.9。1,1'-双（氯羰基）氯化钴铈（5）与对叔丁基杯[4]芳烃的反应生成了钴-双（对叔丁基杯[4]芳烃）二聚体（6）。从（1）和杯[4]芳烃的反应中分离出二茂铁–杯杯[4]芳烃三聚体（7）。溶液温度可变的1 H nmr研究表明（3）和（4）在构象上可移动，且各自的低温光谱与相应的茂金属羰基酯部分的部分圆锥构象或顺式取向一致。乙腈的循环伏安法和库仑法研究表明，化合物（3）在+ 1.24V时经历可逆的两电子氧化（与饱和的甘汞电极），表明两个相应的二茂铁部分在一步中被氧化。质子核磁共振复合研究表明（3）无法与叔丁胺形成溶液-客体复合物。
• Compositions for protecting plants from diseases
  申请人：Ciba-Geigy Corporation

  公开号：US05229384A1

  公开（公告）日：1993-07-20

  Novel benzo-1,2,3-thiadiazole derivatives of the formula ##STR1## in which; A is --OR.sub.4, --SR.sub.4, --N(R.sub.5)R.sub.6, --N(R.sub.7)--N(R.sub.5)R.sub.6, --O--N.dbd.C(R.sub.8)R.sub.9, --N(R.sub.7)--OR.sub.10, or ##STR2## R.sub.4 is C.sub.1 -C.sub.18 alkyl, C.sub.3 -C.sub.35 alkyl which is interrupted by an oxygen or sulfur atom, C.sub.1 -C.sub.8 alkyl which is substituted by halogen or --COOR.sub.7, C.sub.3 -C.sub.6 alkenyl which is unsubstituted or substituted by halogen, C.sub.3 -C.sub.6 alkinyl which is unsubstituted or substituted by halogen, C.sub.4 -C.sub.7 cycloalkyl which is unsubstituted or substituted by halogen or methyl, an aryl or heterocyclic radical U having not more than 3 heteroatoms O, N and/or S, or a radical U which is linked via an alkylene bridge containing not more than 6 carbon atoms and up to 2 oxygen atoms. The novel active substances have plant protection properties and are particularly suitable for preventive protection of plants against attack by phytopathogenic microorganisms such as fungi, bacteria and viruses.

  本发明涉及一种benzo-1,2,3-噻二唑衍生物，其化学式为##STR1##其中；A为--OR.sub.4、--SR.sub.4、--N(R.sub.5)R.sub.6、--N(R.sub.7)--N(R.sub.5)R.sub.6、--O--N.dbd.C(R.sub.8)R.sub.9、--N(R.sub.7)--OR.sub.10或##STR2##R.sub.4为C.sub.1-C.sub.18烷基、被氧或硫原子中断的C.sub.3-C.sub.35烷基、被卤素或--COOR.sub.7取代的C.sub.1-C.sub.8烷基、未取代或被卤素取代的C.sub.3-C.sub.6烯基、未取代或被卤素取代的C.sub.3-C.sub.6炔基、未取代或被卤素或甲基取代的C.sub.4-C.sub.7环烷基、具有不超过3个杂原子O、N和/或S的芳基或杂环基U，或者通过含有不超过6个碳原子和最多2个氧原子的烷基桥连接的基团U。这种新的活性物质具有植物保护性能，特别适用于预防保护植物免受植物病原微生物（如真菌、细菌和病毒）的攻击。
• Chemical compounds
  申请人：Ratcliffe James Andrew

  公开号：US20050009831A1

  公开（公告）日：2005-01-13

  The present invention concerns compounds of general formula (I): in which: R 1 represents hydrogen, R 4 , —C(═Y)—NHR 4 , —SO 2 NHR 4 , —C(=Z 1 )—R 4 , —SO 2 —R 4 or —C(=Z 1 )—OR 4 ; R 2 represents hydrogen, cyano, halogen or —C≡C—R 5 ; R 3 represents hydrogen, acyl, alkoxycarbonyl, alkyl, aroyl, aryl, aryloxycarbonyl, carboxy, cycloalkenyl, cycloalkyl, heteroaroyl, heteroaryl, heterocycloalkyl or —C(═O)—NY 1 Y 2 ; R 4 represents optionally substituted alkyl, cycloalkyl, cycloalkenyl, heterocycloalkyl, aryl or heteroaryl R 5 represents hydrogen or alkyl; R 6 represents alkyl, acyl, alkoxycarbonyl, alkylsulfonyl, aryl, arylsulfonyl, aroyl, cycloalkyl, cycloalkenyl, heteroaryl, heteroarylsulfonyl, heteroaroyl and heterocycloalkyl; R 7 represents optionally substituted alkyl, cycloalkyl or cycloalkylalkyl, R 8 represents hydrogen, alkyl, alkenyl, aryl, arylalkyl, heteroaryl or heteroarylalkyl; R 9 represents alkyl, aryl, arylalkyl, cycloalkyl, cycloalkylalkyl, heteroaryl, heteroarylalkyl, heterocycloalkyl or heterocycloalkylalkyl; R 10 represents hydrogen or lower alkyl; R 11 represents alkyl, aryl, arylalkyl, cycloalkyl, cycloalkylalkyl, heteroaryl, heteroarylalkyl, heterocycloalkyl or heterocycloalkylalkyl; or alkyl optionally substituted by —NY 1 Y 2 ; R 12 represents aryl or heteroaryl; or alkyl, cycloalkyl, cycloalkylalkyl, heterocycloalkyl or heterocycloalkylalkyl each optionally substituted Y represents O, S or NCN; Y 1 and Y 2 (Y 3 and Y 4 ) are independently in particular hydrogen, alkyl, aryl, cycloalkyl, cycloalkenyl, heteroaryl or heterocycloalkyl; or the group —NY 1 Y 2 may form 5-7 membered ring or the group —NY 3 Y 4 (—NY 5 Y 6 ) may form a cyclic amine; Z (Z 1 ) represents O or S; Z 2 represents O or S(O) p ; n is zero or an integer 1 or 2; m is 1 or 2; p is 1 or 2; and their corresponding N-oxides, their prodrugs; their pharmaceutically acceptable salts and solvates (e.g. hydrates), also together with one or more pharmaceutically acceptable carriers or excipients, such novel indolizines derivatives with inhibitory effects towards kinase proteins and especially for use for preventing or treating diseases that may be modulated by the inhibition of such kinase proteins and particularly solid tumours.

  本发明涉及通式（I）的化合物： 其中： R1代表氢，R4，—C（═Y）—NHR4，—SO2NHR4，—C（=Z1）—R4，—SO2—R4或—C（=Z1）—OR4； R2代表氢，氰基，卤素或—C≡C—R5； R3代表氢，酰基，烷氧羰基，烷基，芳酰基，芳基，芳氧羰基，羧基，环烯基，环烷基，杂芳酰基，杂芳基，杂环烷基或—C（═O）—NY1Y2； R4代表可选取代的烷基，环烷基，环烯基，杂环烷基，芳基或杂芳基； R5代表氢或烷基； R6代表烷基，酰基，烷氧羰基，烷基磺酰基，芳基，芳基磺酰基，芳酰基，环烷基，环烯基，杂芳基，杂芳基磺酰基，杂芳酰基和杂环烷基； R7代表可选取代的烷基，环烷基或环烷基烷基； R8代表氢，烷基，烯基，芳基，芳基烷基，杂芳基或杂芳基烷基； R9代表烷基，芳基，芳基烷基，环烷基，环烷基烷基，杂芳基，杂芳基烷基，杂环烷基或杂环烷基烷基； R10代表氢或较低的烷基； R11代表烷基，芳基，芳基烷基，环烷基，环烷基烷基，杂芳基，杂芳基烷基，杂环烷基或杂环烷基烷基；或可选取代的烷基，被—NY1Y2取代； R12代表芳基或杂芳基；或可选取代的烷基，环烷基，环烷基烷基，杂环烷基或杂环烷基烷基； Y代表O，S或NCN； Y1和Y2（Y3和Y4）特别是独立的氢，烷基，芳基，环烷基，环烯基，杂芳基或杂环烷基；或该基团—NY1Y2可能形成5-7成员环或该基团—NY3Y4（—NY5Y6）可能形成一个环状胺； Z（Z1）代表O或S； Z2代表O或S（O）p； n为零或整数1或2； m为1或2； p为1或2； 以及它们对应的N-氧化物，它们的前药；它们的药物可接受的盐和溶剂化合物（例如水合物），还包括一个或多个药物可接受的载体或赋形剂，这种新的吲哚嗪衍生物具有对激酶蛋白的抑制作用，特别是用于预防或治疗可能通过抑制这种激酶蛋白而调节的疾病，特别是固体肿瘤。