2-tert-Butyl-1-chlor-3-phenyl-1H-phosphiren | 118398-71-3

• 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: 2-tert-Butyl-1-chlor-3-phenyl-1H-phosphiren
• 英文别名: 2-tert-butyl-1-chloro-3-phenyl-1H-phosphirene；(phenyl)(t-Bu)-1-chlor-1H-phosphirene；1-chloro-3-(1,1-dimethylethyl)-2-phenyl-1H-phosphirene；1H-Phosphirene, 1-chloro-2-(1,1-dimethylethyl)-3-phenyl-；2-tert-butyl-1-chloro-3-phenylphosphirene
• CAS: 118398-71-3
• 化学式: C₁₂H₁₄ClP
• 分子量: 224.67
• InChiKey: FCHGDJQSTAJEJO-UHFFFAOYSA-N

物化性质

• 沸点：
  150 °C(Press: 0.01 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2-tert-Butyl-1-chlor-3-phenyl-1H-phosphiren 生成 2-Tert-butyl-1-methyl-3-phenylphosphirene
  参考文献：
  名称：

  Heydt, Heinrich; Ehle, Michael; Haber, Steffen, Chemische Berichte, 1997, vol. 130, # 6, p. 711 - 723

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2-二甲基丙基次基膦 、 3-chloro-3-phenyl-3H-diazirine 反应 0.08h， 以63%的产率得到2-tert-Butyl-1-chlor-3-phenyl-1H-phosphiren
  参考文献：
  名称：

  Wagner, Oliver; Ehle, Michael; Birkel, Manfred, Chemische Berichte, 1991, vol. 124, # 5, p. 1207 - 1213

  摘要：

  DOI：

文献信息

• First synthesis of pentacoordinated phosphirenes
  作者：Michael Ehle、Oliver Wagner、Uwe Bergsträβer、Manfred Regitz

  DOI：10.1016/s0040-4039(00)97414-8

  日期：1990.1

  1-Halo- and 1-cyano-1-phosphirenes - react with tetrachloro--quinone () by oxidative addition at phosphorus to furnish the previously unknown title compounds –. The chlorine atom in the pentacoordinated phosphirene undergoes nucleophilic exchange reactions yielding –.

  1卤代-和1-氰基-1- -phosphirenes -与四氯反应-quinone（ ）由氧化加成在磷，得到先前未知的标题化合物- 。五配位的膦中的氯原子经历亲核交换反应，生成– 。
• Synthesis and crystal structure of a bis(phosphiren-1-yl)–iron complex
  作者：J. Simon、U. Bergsträßer

  DOI：10.1039/a709127c

  日期：——

  1-Chloro-1H-phosphirenes 5 react with disodium tetracarbonylferrate to furnish the novel mono-complexed bis(phosphirenyl)s 7 which, in turn, are converted to the doubly-complexed species 8 by treatment with nonacarbonyldiiron.

  1-Chloro-1H-phosphirenes 5 与四羰基铁酸二钠发生反应，生成新型的单络合双（磷酰基）7，再通过壬羰基二铁处理转化为双络合物 8。
• Regitz, Manfred, Bulletin des Societes Chimiques Belges, 1992, vol. 101, # 5, p. 359 - 380
  作者：Regitz, Manfred

  DOI：——

  日期：——
• From 2-Phosphino-2H-Phosphirene to 1-Phosphino-1H-Phosphirene, 1λ5,2λ3-Diphosphete, and 1,2-Dihydro-1λ3,2λ3-Diphosphete: an Experimental and Theoretical Study
  作者：Muriel Sanchez、Régis Réau、Colin J. Marsden、Manfred Regitz、Guy Bertrand

  DOI：10.1002/(sici)1521-3765(19990104)5:1<274::aid-chem274>3.0.co;2-p

  日期：1999.1.4

  The [bis(diisopropylamino)-phosphino](trimethylsilyl)carbene 4 reacts cleanly with tert-butylphosphaalkyne 2 to give 2-phosphino-2H-phosphirene 5, which was spectroscopically characterized. Heterocycle 5 is thermally unstable and quantitatively rearranges after 3 h at room temperature into the 1 lambda(5),2 lambda(3)-diphosphete 3. Irradiation of 5 at room temperature (lambda = 254 nm) with a Rayonnet photochemical reactor produces 1-phosphino-1H-phosphirene 6 (10%), 1,2-dihydrodiphosphete 7 (3%), and diphosphete 3 (87%). Irradiation of 3 with a high pressure mercury lamp at lambda = 254 nm affords the dihydrodiphosphete 7, which was isolated in 69% yield. Calculations carried out on heterocycles 3 and 5-7 emphasize the crucial effect the amino substituents have on the stability of lambda(5)-phosphacyclobutadiene derivatives, and show that the intrinsic difference in the thermodynamic stability between 1H and 2H-phosphirenes is rather small (68 kJ mol(-1)).
• Wagner, Oliver; Ehle, Michael; Regitz, Manfred, Angewandte Chemie, 1989, vol. 101, # 2, p. 227 - 229
  作者：Wagner, Oliver、Ehle, Michael、Regitz, Manfred

  DOI：——

  日期：——