[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-diphenylethyl]-diphenylphosphane | 1232140-71-4

• 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-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-diphenylethyl]-diphenylphosphane
• CAS: 1232140-71-4
• 化学式: C₃₃H₃₄NOP
• 分子量: 491.613
• InChiKey: RYHMAUIULIUDTF-SSEXGKCCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (4S)-4-tert-butyl-2-(2-chloro-1,1-diphenylethyl)-4,5-dihydro-1,3-oxazole 、 potassium diphenylphosphine 以 四氢呋喃 为溶剂， 反应 22.0h， 以46%的产率得到[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-diphenylethyl]-diphenylphosphane
  参考文献：
  名称：

  Chiral ligands

  摘要：

  化学式（1）的手性化合物，其光学纯度高或光学富集，其中R0是未取代或取代1至2个C1-C4-烷氧基的C1-C12-烷基；环戊基或环己基，未取代或取代1至3个C1-C4-烷基或C1-C4-烷氧基；或苄基，苯基或萘基，未取代或取代1至3个C1-C4-烷基，C1-C4-烷氧基，C1-C4-氟烷基或C1-C4-氟烷氧基，F或Cl，R1和R'1中的每一个独立地是氢或具有R0的含义，其中R1，R'1和R0可以相同也可以不同，R2和R3独立地是C键合的碳氢基团或杂原子碳氢基团，R4中的每一个都是C1-C6-烷基，环戊基，环己基，苯基，甲基苯基，甲基苄基或苄基，或者两个R4一起形成一个脂肪族C4-C6碳环。这些配体的金属络合物是对不对称加成反应，尤其是氢化反应的均相催化剂。

  公开号：

  EP2202236A1

文献信息

• CHIRAL LIGANDS
  申请人：Pfaltz Andreas

  公开号：US20110275826A1

  公开（公告）日：2011-11-10

  Chiral compounds of the formula (1), which are optically pure or highly optically enriched in which R 0 is C 1 -C 12 -alkyl which is unsubstituted or substituted by 1 to 2 C 1 -C 4 -alkoxy; cyclo-pentyl or cyclohexyl, which is unsubstituted or substituted by 1 to 3 C 1 -C 4 -alkyl or C 1 -C 4 -alkoxy; or benzyl, phenyl or naphtyl which is unsubstituted or substituted by 1 to 3 C 1 -C 4 -alkyl, C 1 -C 4 -alkoxy, C 1 -C 4 -fluoroalkyl or C 1 -C 4 -fluoroalkoxy, F or Cl, or R 0 is —CR 5 R 6 OH or —CR 5 R 6 OSi(C 1 -C 8 -alkyl) 3 wherein R 5 and R 6 are independently selected from the group consisting of H, unsubstituted C 1 -C 12 alkyl, substituted C 1 -C 12 alkyl, unsubstituted C 4 -C 8 cyclo alkyl, substituted C 4 -C 8 cyclo alkyl, unsubstituted aryl, substituted aryl or wherein R 5 and R 6 can form an unsubstituted 5-6 membered aliphatic carbocycle or a substituted 5-6 membered aliphatic carbocycle, each of R 1 and R′ 1 independently is hydrogen or has the meaning of R 0 whereby R 1 , R′ 1 and R 0 can be same or different, R 2 and R 3 are independently a C-bonded hydrocarbon radical or a heterohydrocarbon radical, and each of both R 4 is C 1 -C 6 -alkyl, cyclopentyl, cyclohexyl, phenyl, methylphenyl, methylbenzyl or benzyl, or both R 4 together form an aliphatic C 4 -C 6 carbocycle. Metal complexes of these ligands are homogeneous catalysts for asymmetric addition reaction, particularly hydrogenations.
• [EN] CHIRAL LIGANDS<br/>[FR] LIGANDS CHIRAUX
  申请人：SOLVIAS AG

  公开号：WO2010072746A1

  公开（公告）日：2010-07-01

  Chiral compounds of the formula (1 ), which are optically pure or highly optically enriched in which R0 is C1-C12-alkyl which is unsubstituted or substituted by 1 to 2 C1-C4-alkoxy; cyclo- pentyl or cyclohexyl, which is unsubstituted or substituted by 1 to 3 C1-C4-alkyl or C1-C4-alkoxy; or benzyl, phenyl or naphtyl which is unsubstituted or substituted by 1 to 3 C1-C4-alkyl, C1-C4-alkoxy, C1-C4-fluoroalkyl or C1-C4-fluoroalkoxy, F or Cl, or R0 is -C R5 R6 OH or -C R5 R6 OSi(C1-C8-alkyl)3 wherein R5 and R6 are indedendently selected from the group consisting of H, unsubstituted C1 - C12 alkyl, substituted C1 - C12 alkyl, unsubstituted C4 - C8 cyclo alkyl, substituted C4 - C8 cyclo alkyl, unsubstituted aryl, substituted aryl or wherein R5 and R6 can form an unsubstituted 5-6 membered aliphatic carbocycle or a substituted 5-6 membered aliphatic carbocycle, each of R1 and R'1 independently is hydrogen or has the meaning of R0 whereby R1, R'1 and R0 can be same or different, R2 and R3 are independently a C-bonded hydrocarbon radical or a heterohydrocarbon radical, and each of both R4 is C1-C6-alkyl, cyclopentyl, cyclohexyl, phenyl, methylphenyl, methylbenzyl or benzyl, or both R4 together form an aliphatic C4-C6 carbocycle. Metal complexes of these ligands are homogeneous catalysts for asymmetric addition reaction, particularly hydrogenations.
• Chiral ligands
  申请人：Solvias AG

  公开号：EP2202236A1

  公开（公告）日：2010-06-30

  Chiral compounds of the formula (1), which are optically pure or highly optically enriched in which R0 is C1-C12-alkyl which is unsubstituted or substituted by 1 to 2 C1-C4-alkoxy; cyclopentyl or cyclohexyl, which is unsubstituted or substituted by 1 to 3 C1-C4-alkyl or C1-C4-alkoxy; or benzyl, phenyl or naphtyl which is unsubstituted or substituted by 1 to 3 C1-C4-alkyl, C1-C4-alkoxy, C1-C4-fluoroalkyl or C1-C4-fluoroalkoxy, F or Cl, each of R1 and R'1 independently is hydrogen or has the meaning of R0 whereby R1, R'1 and R0 can be same or different, R2 and R3 are independently a C-bonded hydrocarbon radical or a heterohydrocarbon radical, and each of both R4 is C1-C6-alkyl, cyclopentyl, cyclohexyl, phenyl, methylphenyl, methylbenzyl or benzyl, or both R4 together form an aliphatic C4-C6 carbocycle. Metal complexes of these ligands are homogeneous catalysts for asymmetric addition reaction, particularly hydrogenations.

  化学式（1）的手性化合物，其光学纯度高或光学富集，其中R0是未取代或取代1至2个C1-C4-烷氧基的C1-C12-烷基；环戊基或环己基，未取代或取代1至3个C1-C4-烷基或C1-C4-烷氧基；或苄基，苯基或萘基，未取代或取代1至3个C1-C4-烷基，C1-C4-烷氧基，C1-C4-氟烷基或C1-C4-氟烷氧基，F或Cl，R1和R'1中的每一个独立地是氢或具有R0的含义，其中R1，R'1和R0可以相同也可以不同，R2和R3独立地是C键合的碳氢基团或杂原子碳氢基团，R4中的每一个都是C1-C6-烷基，环戊基，环己基，苯基，甲基苯基，甲基苄基或苄基，或者两个R4一起形成一个脂肪族C4-C6碳环。这些配体的金属络合物是对不对称加成反应，尤其是氢化反应的均相催化剂。