tert-butyl (4-((diethoxyphosphoryl)oxy)phenethyl)carbamate | 245321-43-1

• 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: tert-butyl (4-((diethoxyphosphoryl)oxy)phenethyl)carbamate
• 英文别名: Tert-butyl 2-(4-[(diethoxyphosphoryl)oxy]phenyl}ethylcarbamate；tert-butyl N-[2-(4-diethoxyphosphoryloxyphenyl)ethyl]carbamate
• CAS: 245321-43-1
• 化学式: C₁₇H₂₈NO₆P
• 分子量: 373.386
• InChiKey: WVVJGOCFWFSOEG-UHFFFAOYSA-N

物化性质

• 沸点：
  456.5±45.0 °C(Predicted)
• 密度：
  1.140±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl (4-((diethoxyphosphoryl)oxy)phenethyl)carbamate 在 盐酸 作用下， 以100%的产率得到tyramine diethylphosphate hydrochloride
  参考文献：
  名称：

  Structure-based design of a non-peptidic antagonist of the SH2 domain of GRB2

  摘要：

  The structure-based design and synthesis of a completely non-peptidic, micromolar antagonist of the SH2 domain of Grb2 is presented. The compound mimics the two main pharmacophores of the natural ligand, the phenylphosphate of the phosphotyrosine residue and the beta-carboxamide of the X+2 asparagine, which are linked by a rigid aromatic spacer. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00299-1
• 作为产物：
  描述：

  N-Boc-酪胺 、 亚磷酸三乙酯 在 吡啶 、 碘 作用下， 以 二氯甲烷 为溶剂， 以59%的产率得到tert-butyl (4-((diethoxyphosphoryl)oxy)phenethyl)carbamate
  参考文献：
  名称：

  Structure-based design of a non-peptidic antagonist of the SH2 domain of GRB2

  摘要：

  The structure-based design and synthesis of a completely non-peptidic, micromolar antagonist of the SH2 domain of Grb2 is presented. The compound mimics the two main pharmacophores of the natural ligand, the phenylphosphate of the phosphotyrosine residue and the beta-carboxamide of the X+2 asparagine, which are linked by a rigid aromatic spacer. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00299-1

文献信息

• Visible Light-Induced Borylation of C–O, C–N, and C–X Bonds
  作者：Shengfei Jin、Hang. T. Dang、Graham C. Haug、Ru He、Viet D. Nguyen、Vu T. Nguyen、Hadi D. Arman、Kirk S. Schanze、Oleg V. Larionov

  DOI：10.1021/jacs.9b12519

  日期：2020.1.22

  photocatalytic borylation method that can effect borylation of a wide range of substrates, including strong C‒O bonds, remains elusive. Herein, we report a general, metal-free visible light-induced photocatalytic borylation platform that enables borylation of electron rich derivatives of phenols and anilines, chloroarenes, as well as other haloarenes. The reac-tion exhibits excellent functional group

  硼酸是中心重要的功能基序和合成前体。可见光诱导的硼酸化可以提供结构多样化的硼酸盐，但一种广泛有效的光催化硼酸化方法可以影响包括强 C-O 键在内的多种底物的硼化，仍然难以实现。在此，我们报告了一种通用的、无金属的可见光诱导光催化硼化平台，该平台能够对苯酚和苯胺、氯芳烃以及其他卤代芳烃的富电子衍生物进行硼化。该反应表现出优异的官能团耐受性，正如一系列结构复杂底物的硼化反应所证明的那样。值得注意的是，该反应是由吩噻嗪催化的，这是一种简单的有机光催化剂，MW< 200通过质子耦合电子转移机制介导了以前无法实现的可见光诱导的苯酚衍生物单电子还原，还原电位为~-3 V vs SCE。机理研究指出了光催化剂-碱相互作用的关键作用。
• Cdc25 photophatase inhibitors
  申请人：——

  公开号：US20040034103A1

  公开（公告）日：2004-02-19

  The invention concerns novel cdc25 phosphatase inhibitors, and in particular cdc25-C, which correspond to the general formula (I) wherein: A represents a carbocyclic aryl radical optionally substituted 1 to 3 times by one or more radicals independently selected among a halogen atom and an alkyl, hydroxy, alkoxy, alkylthio or NR 1 R 2 radical wherein R 1 and R 2 represent a hydrogen atom or an alkyl radical or R 1 and R 2 form together with the nitrogen atom a heterocycle of 4 to 7 members comprising 1 to 2 heteroatoms, the members required to complete the heterocycle being selected independently among the CR 3 R 4 —, —O—, —S and NR 5 -radicals, R 3 and R 4 representing independently each time they are involved a hydrogen atom or an alkyl, hydroxy, alkoxy, amino, alkylamino or dialkylamino radical, and R 5 representing independently each time it is involved a hydrogen atom or an alkyl radical, or A represents a phenyl radical substituted by a phenyl radical optionally substituted 1 to 3 times by one or more radicals selected independently among a halogen atom and an alkyl, hydroxy, alkoxy, alkylthio or NR 1 R 2 radical wherein R 1 and R 2 represent a hydrogen atom or an alkyl radical; B represents a —(CH 2 ) i —(CO)— or —NH—CO—(CH 2 ) n or —(CH 2 ) p and i and n being integers from 0 to 2 and p being an integer from 0 to 1; W represents a hydrogen atom or an alkyl radical; X represents a —(CH 2 ) q — or (CH 2 ) j —CO—(CH 2 ) r —, q being an integer from 1 to 4 and j and r being integers from 0 to 6; Y represents in particular a nitrophenyl, aminophenyl, alkylaminophenyl or dialkylaminophenyl radical or the radical (T). 1

  该发明涉及新型cdc25磷酸酶抑制剂，特别是cdc25-C，其对应于一般式(I)，其中：A代表一个通过卤原子、烷基、羟基、烷氧基、烷基硫基或NR1R2基团中独立选择的一个或多个基团1至3次取代的碳环芳基，其中R1和R2分别表示氢原子或烷基基团，或者R1和R2与氮原子一起形成包括1至2个杂原子的4至7个成员的杂环，用于完成杂环的成员独立选择于CR3R4—、—O—、—S和NR5基团中，其中R3和R4在涉及时分别表示氢原子或烷基、羟基、烷氧基、氨基、烷基氨基或二烷基氨基基团，R5在涉及时表示氢原子或烷基基团，或者A代表一个苯基基团，该苯基基团通过一个或多个基团1至3次独立选择的卤原子和烷基、羟基、烷氧基、烷基硫基或NR1R2基团取代；B代表一个—(CH2)i—(CO)—或—NH—CO—(CH2)n或—(CH2)p的基团，其中i和n为0至2的整数，p为0至1的整数；W代表氢原子或烷基基团；X代表一个—(CH2)q—或(CH2)j—CO—(CH2)r—的基团，其中q为1至4的整数，j和r为0至6的整数；Y特别代表一个硝基苯基、氨基苯基、烷基氨基苯基或二烷基氨基苯基基团或基团(T)。
• Inhibitors of Cdc25 phosphatases
  申请人：Prevost Gregoire

  公开号：US20060154933A1

  公开（公告）日：2006-07-13

  A method of inhibiting cdc25 phosphatases in warm-blooded animals comprising administering to warm-blooded animals in need thereof an effective amount of a compound of the formula wherein the substituents are defined as in the specification.

  抑制温血动物cdc25磷酸酯酶的一种方法，包括向需要该方法的温血动物施用有效量的以下化合物：其中取代基的定义如规范中所述。
• Inhibitors of cdc25 phosphatases
  申请人：Prevost Gregoire

  公开号：US20060235027A1

  公开（公告）日：2006-10-19

  A method of inhibiting cdc25 phosphatases in warm-blooded animals comprising administering to warm-blooded animals in need thereof an effective amount of a compound of the formula wherein the substituents are defined as in the specification.

  抑制温血动物中cdc25磷酸酶的方法，包括向需要该方法的温血动物施用一种有效量的化合物，该化合物的公式如下：其中取代基的定义如规范中所述。
• Cdc25 phosphatase inhibitors
  申请人：Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S.)

  公开号：US07196084B2

  公开（公告）日：2007-03-27

  The invention concerns novel cdc25 phosphatase inhibitors, and in particular cdc25-C, which correspond to the general formula (I) wherein: A represents a carbocyclic aryl radical optionally substituted 1 to 3 times by one or more radicals independently selected among a halogen atom and an alkyl, hydroxy, alkoxy, alkylthio or NR1R2 radical wherein R1 and R2 represent a hydrogen atom or an alkyl radical or R1 and R2 form together with the nitrogen atom a heterocycle of 4 to 7 members comprising 1 to 2 heteroatoms, the members required to complete the heterocycle being selected independently among the CR3R4—, —O—, —S and NR5-radicals, R3 and R4 representing independently each time they are involved a hydrogen atom or an alkyl, hydroxy, alkoxy, amino, alkylamino or dialkylamino radical, and R5 representing independently each time it is involved a hydrogen atom or an alkyl radical, or A represents a phenyl radical substituted by a phenyl radical optionally substituted 1 to 3 times by one or more radicals selected independently among a halogen atom and an alkyl, hydroxy, alkoxy, alkylthio or NR1R2 radical wherein R1 and R2 represent a hydrogen atom or an alkyl radical; B represents a —(CH2)i—(CO)— or —NH—CO—(CH2)n or —(CH2)p and i and n being integers from 0 to 2 and p being an integer from 0 to 1; W represents a hydrogen atom or an alkyl radical; X represents a —(CH2)q— or (CH2)j—CO—(CH2)r—, q being an integer from 1 to 4 and j and r being integers from 0 to 6; Y represents in particular a nitrophenyl, aminophenyl, alkylaminophenyl or dialkylaminophenyl radical or the radical (T)

  本发明涉及一种新的cdc25磷酸酶抑制剂，特别是cdc25-C，其对应于通式（I），其中：A代表一个碳环芳基基团，可选地被一个或多个基团独立地选自卤素原子和烷基，羟基，烷氧基，烷硫基或NR1R2基团取代1至3次，其中R1和R2分别表示氢原子或烷基基团，或R1和R2与氮原子一起形成4至7个成员的杂环，其中包括1至2个杂原子，所需的成员用于完整的杂环中独立地选自CR3R4-，-O-，-S和NR5-基团，其中R3和R4每次独立地表示氢原子或烷基，羟基，烷氧基，氨基，烷基氨基或二烷基氨基基团，R5每次独立地表示氢原子或烷基基团，或A代表一个苯基基团，该基团被一个或多个基团独立地选自卤素原子和烷基，羟基，烷氧基，烷硫基或NR1R2基团取代1至3次，其中R1和R2分别表示氢原子或烷基基团；B代表-（CH2）i-（CO）-或-NH-CO-（CH2）n或-（CH2）p，其中i和n为0至2的整数，p为0至1的整数；W代表氢原子或烷基基团；X代表-（CH2）q-或（CH2）j-CO-（CH2）r-，其中q为1至4的整数，j和r为0至6的整数；Y特别代表硝基苯基，氨基苯基，烷基氨基苯基或二烷基氨基苯基基团或基团（T）。