3,3,5,5-tetrachloro-1-phenyl-1,2,4,6,3,5-thiatriazadiphosphorine 1-oxid | 61357-41-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,3,5,5-tetrachloro-1-phenyl-1,2,4,6,3,5-thiatriazadiphosphorine 1-oxid
• 英文别名: 3,3,5,5-Tetrachloro-1-phenyl-1lambda6-thia-2,4,6-triaza-3lambda5,5lambda5-diphosphacyclohexa-1,3,5-triene 1-oxide；3,3,5,5-tetrachloro-1-phenyl-1λ6-thia-2,4,6-triaza-3λ5,5λ5-diphosphacyclohexa-1,3,5-triene 1-oxide
• CAS: 61357-41-3
• 化学式: C₆H₅Cl₄N₃OP₂S
• 分子量: 370.951
• InChiKey: LUMJKXQEOPFSHD-UHFFFAOYSA-N

物化性质

• 熔点：
  91.5-92.0 °C
• 密度：
  1.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,3,5,5-tetrachloro-1-phenyl-1,2,4,6,3,5-thiatriazadiphosphorine 1-oxid 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 78.0h， 生成
  参考文献：
  名称：

  Dhathathreyan, Kaveripatnam S.; Jekel, Andries P.; Grampel, Johan C. van de, Journal of the Chemical Society, Dalton Transactions, 1988, p. 1099 - 1102

  摘要：

  DOI：

文献信息

• Reactivity of trimeric chlorophosphazenes and chlorothiaphosthazenes towards alkyl-lithium reagents
  作者：Harman Winter、Johan C. van de Grampel

  DOI：10.1039/c39840000489

  日期：——

  Reaction of cyclic chlorophosphazenes and chlorothiaphosphazenes with alkyl-lithium reagents and isopropyl alcohol affords hydrido-isopropoxy derivatives and cyclic alkylated species.

  环状氯磷腈和氯噻嗪磷腈与烷基锂试剂和异丙醇的反应提供了氢化-异丙氧基衍生物和环状烷基化的物质。
• Reactions of ferrocene-derived bis(hydroxymethyl) phosphine sulfides FcCH(R)P(S)(CH2OH)2 (R=H, CH3) with cyclic thionylphosphazenes: crystal structures of FcCH2P(S)(CH2O)2PN(NPCl2)[NS(O)Ph] and FcCH2P(S)(CH2O)2PN2P[N(Me)CH2]2[NS(O)Ph] (Fc=ferrocenyl)
  作者：T.V.V Ramakrishna、Anil J Elias

  DOI：10.1016/s0022-328x(01)00939-1

  日期：2001.12

  compounds FcCH2P(S)(CH2O)2PN(NPCl2)[NS(O)Ph] (8) and FcCH(CH3)P(S)(CH2O)2PN(NPCl2)[NS(O)Ph] (9), respectively. Controlled reactions of 4 and 5 with 6 were performed in which dispirocyclic compounds FcCH2P(S)(CH2O)2PN2P[N(Me)CH2]2[NS(O)Ph] (10) and FcCH2P(S)(CH2O)2PN2P[N(Me)CH2]2[NS(O)4-ClC6H4] (11) were isolated. The product obtained in the 1:1 reaction of HOCH2(CF2)2CH2OH with (NPCl2)2[NS(O)4-ClC6H4] (3)

  环状六元thionylphosphazenes，（NPCL 2）2 [NS（O）X] X =氯（1）中，Ph（2）和4-ClC 6 ħ 4（3）以及所述monospirocyclic衍生物（NPCL 2）NP [N（Me）的CH 2 ] 2 [NS（O）PH]（4）和（NPCL 2）NP [N（Me）的CH 2 ] 2 [NS（O）4-ClC 6 ħ 4合成]（5）。这些化合物与二锂化二茂铁衍生的羟甲基膦硫化物FcCH 2 P（S）（CH 2OH）2（6）和FcCH（CH 3）P（S）（CH 2 OH）2（7）。1与6和7的反应未产生任何所需的产物。相反，2与6和7的1：1反应容易生成空气稳定的单螺环化合物FcCH 2 P（S）（CH 2 O）2 PN（NPCl 2）[NS（O）Ph]（8）和FcCH（CH 3）P（S）（CH 2 O）2 PN（NPCl 2）[NS（O）Ph]（9）分
• Ring-Closing Metathesis Reactions of Terminal Alkene-Derived Cyclic Phosphazenes
  作者：Dheeraj Kumar、Nem Singh、Karunesh Keshav、Anil J. Elias

  DOI：10.1021/ic101884s

  日期：2011.1.3

  (NPPh2)[NP(OCH2CH2CH═CH2)2]2 (9) and (NS(O)Ph)[NP(OCH2CH2CH═CH2)2]2 (10) with the same catalyst resulted in the formation of 11-membered diansa compounds NPPh2[NP(OCH2CH2CH═CHCH2CH2O)]2 (11) and (NS(O)Ph)[NP(OCH2CH2CH═CHCH2CH2O)]2 (13) and the intermolecular doubly bridged ansa−dibino−ansa compounds 12 and 14. The X-ray structural studies of compounds 11 and 13 indicated that the double bonds of the ansa-substituted

  已经进行了一系列末端烯烃衍生的环状磷腈的闭环复分解（RCM）反应的第一个实例。的四- ，hexakis-，和octakis（烯丙氧基）cyclophosphazenes（NPPh 2）（NP（OCH 2 CH = CH 2）2）2（1），N 3 P 3（OCH 2 CH = CH 2）6（2） ，N 4 P 4（OCH 2 CH = CH 2）8（3）和四（烯丙氧基）-S-phenylthionylphosphazene（NS（O）PH）[NP（OCH 2 CH = CH 2）2 ] 2（4）是由CH的反应制备2 = CHCH 2 ONA与cyclophosphazenes（NPPh 2）（NPCL 2）2， N 3 P 3 Cl 6和N 4 P 4 Cl 8以及S-苯基亚硫酰基磷腈（NS（O）Ph）（NPCl 2）2。的反应中1 - 4与格鲁布斯第一代烯烃复分解催化剂氯2 Ru═CHPh（PCY
• Ruiter, Barteld de; Kuipers, Geert; Bijlaart, Jan H., Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1982, vol. 37, # 11, p. 1425 - 1429
  作者：Ruiter, Barteld de、Kuipers, Geert、Bijlaart, Jan H.、Grampel, Johan C. van de

  DOI：——

  日期：——
• FLUORINATED CYCLOTHIAPHOSPHAZENES: SYNTHESIS, STRUCTURE AND REACTIVITY
  作者：Herman F. M. Schoo、Herman Winter、Andries Jekel、Auke Meetsma、Johan C. Van De Grampel

  DOI：10.1080/10426509608037972

  日期：1996.8.1

  Reaction of chlorocyclothiaphosphazenes NPCl2(NSOX)(2) (X = Cl, Ph) and (NPCl2)(2)NSOX (X = Cl, F, Ph) with KSO2F in bulk leads to fluorination at the phosphorus centers. The substitution reaction follows a geminal pattern. Reactions of trans-NPF2(NSOPh)(2) with Grignard reagents RMgX (R = Me, (t)Bu) show substitution of fluorine by alkyl groups to be a slow process. The more reactive PhMgBr gives an acceptable reaction rate and good yields. Organolithium reagents offer organo-substituted cyclothiaphosphazenes in low to moderate yields, depending on the reagent used. Crystals of cis-NPF2(NSOPh)(2) are monoclinic, space group P2(1)/n, with a = 13.665(7) Angstrom, b = 10.676(1) Angstrom, c = 9.897(3) Angstrom, beta = 90.55(3)degrees, V = 1443.8(9) Angstrom(3), and Z = 4. The final R and wR values are 0.034 and 0.043, respectively. The PN and SN bond lengths vary from 1.571(2) to 1.590(2) Angstrom.