13-(5-Methyl-2-propan-2-ylphenyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 13-(5-Methyl-2-propan-2-ylphenyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
• 英文别名: 13-(5-methyl-2-propan-2-ylphenyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
• 化学式: C₃₀H₂₅O₂P
• 分子量: 448.5
• InChiKey: WFWHQVSGLQGKDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  33
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• IMPROVED PROCESS FOR PRODUCING PENTENENITRILES
  申请人：INVISTA Textiles (U.K.) Limited

  公开号：EP2928597B1

  公开（公告）日：2019-07-17
• PROCESS FOR PRODUCING PENTENENITRILES
  申请人：INVISTA NORTH AMERICA S.A.R.L.

  公开号：US20150314279A1

  公开（公告）日：2015-11-05

  The invention provides methods useful in the industrial scale process for hydrocyanation of butadiene to adiponitrile for recycle of unwanted byproduct 2-methyl-3-butenenitrile (2M3BN) by conversion to process intermediate pentenenitrile. The invention provides a process for generating catalysts useful for carrying out the hydrocyanation of butadiene to adiponitrile, the process comprising contacting the 2M3BN and a solution of a nickel-ligand catalyst in cis-2-pentenenitrile (cis-2PN), trans-2-pentenenitrile (trans-2PN), or a mixture thereof. The improved methods of the invention can provide improved catalyst solubility for bidentate ligands without a requirement for a Lewis acid catalyst promoter such as zinc chloride to be present.
• COMPOSITION FOR IMPROVED NICKEL-LIGAND SOLUBILITY
  申请人：INVISTA NORTH AMERICA S.A R.L.

  公开号：US20150314280A1

  公开（公告）日：2015-11-05

  In the hydrocyanation reaction of butadiene proceeding through pentenenitriles to adiponitrile, catalysis by complexes of zerovalent nickel with bidentate phosphorus-based ligands of the NiL 2 A type wherein L 2 is a bidentate ligand and A is an unsaturated compound, can be rate-limited by the solubility of the catalytic complex. The present invention concerns solvent compositions for the nickel-ligand complex comprising mixtures of unsaturated nitriles that provide for increased metal solubility, particularly in the absence of a Lewis acid promoter, resulting in higher hydrocyanation reaction rates in an industrial-scale process for production of important nylon manufacturing intermediates. The mixed nitrile solvent compositions can include mixtures of pentenenitriles and/or methylbutenenitriles. The mixtures of mixed unsaturated nitriles can be, at least in part, from recycle streams from the hydrocyanation reaction for which the nickel-bidentate ligand complexes are used as catalysts.
• US9687835B2
  申请人：——

  公开号：US9687835B2

  公开（公告）日：2017-06-27
• US9932298B2
  申请人：——

  公开号：US9932298B2

  公开（公告）日：2018-04-03