tert-butyl-N-((tert-butoxy)carbonyl)-N-(2-fluoro-4-nitrophenyl)carbamate

• 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-N-((tert-butoxy)carbonyl)-N-(2-fluoro-4-nitrophenyl)carbamate
• 英文别名: di-tert-butyl (2-fluoro-4-nitrophenyl)carbamate；tert-Butyl N-[(tert-butoxy)carbonyl]-N-(2-fluoro-4-nitrophenyl)carbamate；tert-butyl N-(2-fluoro-4-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• 化学式: C₁₆H₂₁FN₂O₆
• 分子量: 356.351
• InChiKey: BIBOFMPMJFPYCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tert-butyl-N-((tert-butoxy)carbonyl)-N-(2-fluoro-4-nitrophenyl)carbamate 在 palladium on activated charcoal 、 氢气 作用下， 以 乙醇 为溶剂， 生成 tert-butyl N-((tert-butoxy)carbonyl)-N-(4-amino-2-fluorophenyl)carbamate
  参考文献：
  名称：

  Lead optimization of the VU0486321 series of mGlu1 PAMs. Part 1: SAR of modifications to the central aryl core

  摘要：

  This Letter describes the lead optimization of the VU0486321 series of mGlu(1) positive allosteric modulators (PAMs). While first generation PAMs from Roche were reported in the late 1990s, little effort has focused on the development of mGlu(1) PAMs since. New genetic data linking loss-of-function mutant mGlu(1) receptors to schizophrenia, bipolar disorder and other neuropsychiatric disorders has rekindled interest in the target, but the ideal in vivo probe, for example, with good PK, brain penetration and low plasma protein binding, for robust target validation has been lacking. Here we describe the first modifications to the central aryl core of the VU0486321 series, where robust SAR was noted. Moreover, structural variants were identified that imparted selectivity (up to >793-fold) versus mGlu(4). (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.10.013
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 2-氟-4-硝基苯胺 在 4-二甲氨基吡啶 作用下， 以 四氢呋喃 为溶剂， 生成 tert-butyl-N-((tert-butoxy)carbonyl)-N-(2-fluoro-4-nitrophenyl)carbamate
  参考文献：
  名称：

  Lead optimization of the VU0486321 series of mGlu1 PAMs. Part 1: SAR of modifications to the central aryl core

  摘要：

  This Letter describes the lead optimization of the VU0486321 series of mGlu(1) positive allosteric modulators (PAMs). While first generation PAMs from Roche were reported in the late 1990s, little effort has focused on the development of mGlu(1) PAMs since. New genetic data linking loss-of-function mutant mGlu(1) receptors to schizophrenia, bipolar disorder and other neuropsychiatric disorders has rekindled interest in the target, but the ideal in vivo probe, for example, with good PK, brain penetration and low plasma protein binding, for robust target validation has been lacking. Here we describe the first modifications to the central aryl core of the VU0486321 series, where robust SAR was noted. Moreover, structural variants were identified that imparted selectivity (up to >793-fold) versus mGlu(4). (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.10.013

文献信息

• Camptothecin analogs and methods of preparation thereof
  申请人：——

  公开号：US20020193598A1

  公开（公告）日：2002-12-19

  A compound and a method of synthesizing a compound having the following general formula (1): 1 wherein R 1 and R 2 are independently the same or different and are hydrogen, an alkyl group, an alkenyl group, a benzyl group, an alkynyl group, an alkoxy group, an aryloxy group, an acyloxy group, —OC(O)OR d , wherein R d is an alkyl group, a carbamoyloxy group, a halogen, a hydroxy group, a nitro group, a cyano group, an azido group, a formyl group, a hydrazino group, an acyl group, an amino group, —SR c , wherein, R c is hydrogen, an acyl group, an alkyl group, or an aryl group, or R 1 and R 2 together form a group of the formula —O(CH 2 ) n O— wherein n represents the integer 1 or 2; R 3 is H, F, a halogen atom, a nitro group, an amino group, a hydroxy group, or a cyano group; or R 2 and R 3 together form a group of the formula —O(CH 2 ) n O— wherein n represents the integer 1 or 2; R 8 is H, a trialkylsilyl group, F, a C 1-3 alkyl group, a C 2-3 alkenyl group, a C 2-3 alkynyl group, or a C 1-3 alkoxy group; R 5 is a C 1-10 alkyl group, an allyl group, a benzyl group or a propargyl group; and R 6 , R 7 and R 8 are independently a C 1-10 alkyl group, a C 2-10 alkenyl group, a C 2-10 alkynyl group, an aryl group or a —(CH 2 ) N R 9 group, wherein N is an integer within the range of 1 through 10 and R 9 is a hydroxy group, alkoxy group, an amino group, an alkylamino group, a dialkylamino group, a halogen atom, a cyano group or a nitro group; and R 11 is an alkylene group or an alkenylene group, and pharmaceutically acceptable salts thereof.

  一种具有以下通式（1）的化合物及其合成方法：其中R1和R2独立地相同或不同，可以是氢、烷基、烯基、苯基、炔基、烷氧基、芳基氧基、酰氧基、—OC（O）ORd，其中Rd是烷基、氨基甲酰氧基、卤素、羟基、硝基、氰基、偶氮基、甲酰基、肼基、酰基、氨基、—SRc，其中，Rc是氢、酰基、烷基或芳基，或R1和R2共同形成式为—O（CH2）nO—的基团，其中n表示整数1或2；R3是H、F、卤素原子、硝基、氨基、羟基或氰基；或R2和R3共同形成式为—O（ ）nO—的基团，其中n表示整数1或2；R8是H、三烷基硅基、F、C1-3烷基、C2-3烯基、C2-3炔基或C1-3烷氧基；R5是C1-10烷基、烯丙基、苯甲基或丙炔基；R6、R7和R8独立地是C1-10烷基、C2-10烯基、C2-10炔基、芳基或—（ ）NR9基团，其中N在1至10范围内是整数，R9是羟基、烷氧基、氨基、烷基氨基、二烷基氨基、卤素原子、氰基或硝基；R11是烷基或烯基，以及其药学上可接受的盐。
• Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto
  申请人：Dow AgroSciences LLC

  公开号：US10219516B2

  公开（公告）日：2019-03-05

  This disclosure relates to the field of molecules having pesticidal utility against pests in Phyla Arthropoda, Mollusca, and Nematoda, processes to produce such molecules, intermediates used in such processes, pesticidal compositions containing such molecules, and processes of using such pesticidal compositions against such pests. These pesticidal compositions may be used, for example, as acaricides, insecticides, miticides, molluscicides, and nematicides. This document discloses molecules having the following formula (“Formula One”).

  本公开涉及对节肢动物门、软体动物门和线虫动物门害虫具有杀虫作用的分子、生产此类分子的工艺、用于此类工艺的中间体、含有此类分子的杀虫组合物以及使用此类杀虫组合物对付此类害虫的工艺。这些杀虫组合物可用作杀螨剂、杀虫剂、杀螨剂、杀软体动物剂和杀线虫剂等。本文公开了具有下式（"式一"）的分子。
• CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF
  申请人：University of Pittsburgh - Of the Commonwealth System of Higher Education

  公开号：EP1017399B1

  公开（公告）日：2008-12-24
• MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO
  申请人：Dow Agrosciences LLC

  公开号：EP3283459B1

  公开（公告）日：2019-05-22
• US6136978A
  申请人：——

  公开号：US6136978A

  公开（公告）日：2000-10-24