N-BOC-脒三苯基膦 | 68014-21-1

• 物质功能分类: 有机原料 - 有机膦化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-BOC-脒三苯基膦
• 中文别名: 三苯基膦基亚胺基甲酸叔丁酯；N-Boc-脒三苯基膦；N-BOC-亚氨基三苯基膦；N-叔丁氧羰基亚胺(三苯基)膦；N-Boc-三苯基磷亚胺；N-Boc-三苯基磷亚氨
• 英文名称: triphenyl(t-butoxycarbonylimino)phosphorane
• 英文别名: N-Boc-triphenyliminophosphorane；N-Boc-imino(triphenyl)phosphorane；tert-butyl (triphenylphosphoranylidene)carbamate；tert-butoxycarbonylaminotriphenylphosphine；tert-butyl (triphenylphosphoranylidene)acetate；tert-butyl (triphenyl-λ⁵-phosphaneylidene)carbamate；N-Boc-Imino-(triphenyl)phosphorane；tert-butyl N-(triphenyl-λ5-phosphanylidene)carbamate
• CAS: 68014-21-1
• 化学式: C₂₃H₂₄NO₂P
• mdl: MFCD00798174
• 分子量: 377.423
• InChiKey: KNXPVXCUELYHDM-UHFFFAOYSA-N

物化性质

• 熔点：
  147.0 to 151.0 °C
• 沸点：
  491.8±28.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)
• 溶解度：
  溶于甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.173
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  8
• 安全说明：
  S36/37/39
• 危险类别码：
  R23/34/35
• 海关编码：
  2931900090
• 包装等级：
  III
• 危险类别：
  9
• 危险性防范说明：
  P261,P264,P270,P271,P280,P302+P352,P304+P340,P305+P351+P338,P310,P330,P362+P364,P403+P233,P501
• 危险品运输编号：
  3077
• 危险性描述：
  H302,H315,H318,H335,H411
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  N-BOC-脒三苯基膦 在 Oxone 、 potassium carbonate 作用下， 以 氯仿 、 水 、 甲苯 为溶剂， 反应 7.0h， 生成 t-butyl 3-(trichloromethyl)-1,2-oxaziridine-2-carboxylate
  参考文献：
  名称：

  N-Boc-3-trichloromethyloxaziridine：一种新的强大的亲电胺试剂

  摘要：

  Ph 3 P = N-Boc与氯醛的aza-Wittig反应，然后将生成的亚胺进行氧酮氧化，以极好的收率得到N-Boc-3-三氯甲基恶唑烷。这种新的恶唑烷已被证明是一种功能强大的亲电胺化试剂。

  DOI：

  10.1016/s0040-4039(98)01983-2
• 作为产物：
  描述：

  (4-氰基亚苄基)-氨基甲酸叔丁酯 在 LiMCPBA 作用下， 以 二氯甲烷 、 二氯甲烷-D2 为溶剂， 反应 2.0h， 生成 N-BOC-脒三苯基膦
  参考文献：
  名称：

  N-Alkyloxycarbonyl-3-aryloxaziridines: Their Preparation, Structure, and Utilization As Electrophilic Amination Reagents

  摘要：

  AbstractThis paper reports the synthesis of a series of N‐protected oxaziridines (N‐Moc, Boc, Z or Fmoc) and discusses their ability to deliver their N‐alkoxycar‐bonyl fragment to amines, enolates, sulfur, and phosphorus nucleophiles (electrophilic amination). These oxaziridines are prepared by oxidation of the corresponding imines with oxone or anhydrous MCPBA lithium salt as the source of oxygen. They transfer their N‐protected fragment to primary and secondary amines to give protected hydrazines in fair to excellent yield. The nitrogen transfer to free amino acids (in form of their R4N+ salts) is particularly fast, even at low temperature, providing L (or D) N‐protected α‐hydrazino acids. Enolates are C‐aminated to give N‐protected α‐amino ketones, esters, or amides in modest yield, due to a side aldol reaction of the unreacted enolate with the released benzaldehyde. With tertiary amines (Et3N), sulfides (PhSMe), and phosphines (Ph3P), amination and oxidation proceed in a parallel way; the amount of amination product increases when the temperature is lowered (kinetic control). Some of the factors that can orient the oxaziridine reactivity towards amination or oxidation of nucleophiles are considered.

  DOI：

  10.1002/chem.19970031019

文献信息

• [EN] HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS<br/>[FR] MODULATEURS DU RÉCEPTEUR HORMONAL POUR LE TRAITEMENT D'ÉTATS ET DE TROUBLES MÉTABOLIQUES MUTAGÈNES ET FIBROTIQUES
  申请人：ARDELYX INC

  公开号：WO2019055808A1

  公开（公告）日：2019-03-21

  The invention relates to activators of FXR useful in the treatment of autoimmune disorders, liver disease, intestinal disease, kidney disease, cancer, and other diseases in which FXR plays a role, having the Formula (I): wherein L1, A, X1, X2, Y1, Y2, Y3, Y4, R1, R2, and R3 are described herein.

  这项发明涉及FXR的激活剂，可用于治疗自身免疫性疾病、肝病、肠道疾病、肾脏疾病、癌症以及FXR发挥作用的其他疾病，其化学式为（I）：其中L1、A、X1、X2、Y1、Y2、Y3、Y4、R1、R2和R3如本文所述。
• Structure-Guided Directed Evolution of Alkenyl and Arylmalonate Decarboxylases
  作者：Krzysztof Okrasa、Colin Levy、Matthew Wilding、Mark Goodall、Nina Baudendistel、Bernhard Hauer、David Leys、Jason Micklefield

  DOI：10.1002/anie.200904112

  日期：2009.9.28

  enhancement: The X‐ray crystal structure of an arylmalonate decarboxylase (AMDase) with a mechanism‐based inhibitor bound to an active‐site dioxyanion hole provides insight into the mechanism of this intriguing enzyme. The structure also guided the extension of the AMDase biocatalytic repertoire to include a wide range of α‐alkenyl as well as α‐arylmalonates.

  合理增强：芳基丙二酸脱羧酶（AMDase）的X射线晶体结构与基于机理的抑制剂结合在活性位点的双氧阴离子孔上，从而使人们深入了解了这种有趣的酶的机理。该结构还指导了AMDase生物催化库的扩展，使其包括各种α-烯基以及α-芳基丙二酸酯。
• [EN] OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS<br/>[FR] DÉRIVÉS D'OXAZINE ET LEUR UTILISATION DANS LE TRAITEMENT DE TROUBLES NEUROLOGIQUES
  申请人：NOVARTIS AG

  公开号：WO2012095463A1

  公开（公告）日：2012-07-19

  The invention relates to novel heterocyclic compounds of the formula (I), in which all of the variables are as defined in the specification, in free form or in pharmaceutically acceptable salt form, to their preparation, to their medical use and to medicaments comprising them.

  本发明涉及式(I)的新杂环化合物，其中所有变量如说明书中所定义，以自由形式或药物可接受的盐形式存在，以及它们的制备、医学用途和包含它们的药物。
• Quinine-Based Trifunctional Organocatalyst for Tandem Aza-Henry Reaction-Cyclization: Asymmetric Synthesis of Spiroxindole-Pyrrolidine/Piperidines
  作者：Saumen Hajra、Bibekananda Jana

  DOI：10.1021/acs.orglett.7b02150

  日期：2017.9.15

  A quinine-derived trifunctional sulphonamide catalyst has been developed for the effective asymmetric organocatalytic tandem aza-Henry reaction-cyclization of isatin-derived ketimines and nitroalkane-mesylates for the synthesis of spiro-pyrrolidine/piperidine-oxindoles. Demethylation of traditional bifunctional catalyst to incorporate an additional hydrogen bonding C6′–OH group plays the key role toward

  已开发出奎宁衍生的三官能磺酰胺催化剂，用于伊斯兰衍生的酮亚胺和硝基烷-甲磺酸酯的有效不对称有机催化串联aza-Henry反应-环化反应，以合成螺吡咯烷/哌啶-吲哚。传统双功能催化剂的脱甲基结合一个额外的氢键C6'-OH基团对显着的对映选择性起着关键作用。
• [EN] HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS<br/>[FR] MODULATEURS DU RÉCEPTEUR HORMONAL POUR LE TRAITEMENT D'ÉTATS ET DE TROUBLES MÉTABOLIQUES
  申请人：ARDELYX INC

  公开号：WO2018039386A1

  公开（公告）日：2018-03-01

  The invention relates to activators of FXR useful in the treatment of autoimmune disorders, liver disease, intestinal disease, kidney disease, cancer, and other diseases in which FXR plays a role, having the Formula (I): (I), wherein L1, A, X1, X2, R1, R2, and R3 are described herein.

  这项发明涉及FXR的激活剂，可用于治疗自身免疫性疾病、肝病、肠道疾病、肾脏疾病、癌症以及FXR在其中发挥作用的其他疾病，其化学式为(I)：(I)，其中L1、A、X1、X2、R1、R2和R3如本文所述。