1,1-Bi(环丙基)-1-胺 | 882489-65-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1,1-Bi(环丙基)-1-胺
• 中文别名: 1,1'-二(环丙基)-1-胺盐酸盐
• 英文名称: 1,1′-bi(cyclopropyl)-1-amine
• 英文别名: 1,1'-BI(Cyclopropyl)-1-amine；1-cyclopropylcyclopropan-1-amine
• CAS: 882489-65-8
• 化学式: C₆H₁₁N
• mdl: MFCD10686557
• 分子量: 97.16
• InChiKey: RTSBJFZXDBBUSI-UHFFFAOYSA-N

物化性质

• 沸点：
  136.1±8.0 °C(Predicted)
• 密度：
  1.128±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921300090

反应信息

• 作为反应物：
  描述：

  1,1-Bi(环丙基)-1-胺 在 tin(II) chloride dihdyrate 、 Wilkinson’s catalyst 、 氢气 、 sodium hydride 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 30.0h， 生成 methyl N-{1-[1,1'-bi(cyclopropyl)-1-yl]-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl}-P-(4-methylphenyl)-phosphon-amidate
  参考文献：
  名称：

  Tetrahydroquinolinyl phosphinamidates and phosphonamidates enhancing tolerance towards drought stress in crops via interaction with ABA receptor proteins

  摘要：

  New phosphorous-containing lead structures against drought stress in crops interacting with RCAR/(PYR/PYL) receptor proteins were identified starting from in-depth SAR studies of related sulfonamide lead structures and protein docking studies. A converging 6-step synthesis via phosphinic chlorides and phosphono chloridates as key intermediates afforded envisaged tetrahydroquinolinyl phosphinamidates and phosphonamidates. Whilst tetrahydroquinolinyl phosphonamidates 13a,b exhibited low to moderate target affinities, the corresponding tetrahydroquinolinyl phosphinamidates 12a,b revealed confirmed strong affinities for RCAR/ (PYR/PYL) receptor proteins in Arabidopsis thaliana on the same level as essential plant hormone abscisic acid (ABA) combined with promising efficacy against drought stress in vivo (broad-acre crops wheat and canola).

  DOI：

  10.1016/j.bmc.2020.115725
• 作为产物：
  描述：

  乙基溴化镁 、 环丙基腈 在 titanium(IV) isopropylate 、 三氟化硼乙醚 作用下， 以 乙醚 为溶剂， 反应 2.17h， 生成 1,1-Bi(环丙基)-1-胺
  参考文献：
  名称：

  铱催化的对映选择性 C(sp3)-H 氨基环丙烷的硼化

  摘要：

  已经开发了通过铱催化实现的氨基环丙烷的简单酰亚胺定向分子间对映选择性C(sp 3 )-H 官能化的第一个例子。该反应通过六元金属环进行。该方法可以耐受广泛的官能团，提供大量具有高对映选择性（高达 99% ee ）的手性氨基环丙烷（36 个实例）。

  DOI：

  10.1002/anie.202201463

文献信息

• [EN] COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR<br/>[FR] COMPOSÉS ET PROCÉDÉS DE MODULATION DE CD73 ET LEURS INDICATIONS
  申请人：PLEXXIKON INC

  公开号：WO2021113625A1

  公开（公告）日：2021-06-10

  Disclosed are compounds of Formula I: or a pharmaceutically acceptable salt, a solvate, a tautomer, a stereoisomer or a deuterated analog thereof, wherein R1, R2, R3, A, L, and G are as described in any of the embodiments described in this disclosure; compositions thereof; and uses thereof.

  揭示了Formula I的化合物：或其药用可接受盐、溶剂化合物、互变异构体、立体异构体或氘代谢物，其中R1、R2、R3、A、L和G如本公开说明书中的任何实施例中所描述；以及这些化合物的组合物和用途。
• Synthesis and Exploration of Abscisic Acid Receptor Agonists Against Dought Stress by Adding Constraint to a Tetrahydroquinoline‐Based Lead Structure
  作者：Guido Bojack、Rachel Baltz、Jan Dittgen、Christian Fischer、Jörg Freigang、Rahel Getachew、Erwin Grill、Hendrik Helmke、Sabine Hohmann、Gudrun Lange、Stefan Lehr、Fabien Porée、Jana Schmidt、Dirk Schmutzler、Zhenyu Yang、Jens Frackenpohl

  DOI：10.1002/ejoc.202100415

  日期：2021.6.21

  exploration, and optimization of a lead structure that had shown good initial in vitro activity by interacting with RCAR/(PYR/PYL) receptor proteins, a key biochemical target of plant hormone abscisic acid. In the course of the in-depth SAR study, several new potent sulfonamide lead structures with higher target affinity and, more importantly, improved in vivo efficacy against drought stress in broad-acre crops

  在本文所述的 SAR 研究中，分析、探索和优化通过与 RCAR/(PYR/PYL) 受体蛋白（植物激素脱落酸的关键生化靶标）相互作用而显示出良好的初始体外活性的先导结构。在深入的 SAR 研究过程中，确定了几种新的强效磺酰胺先导结构，与最初的先导结构相比，它们具有更高的靶点亲和力，更重要的是，在大面积作物油菜和小麦中，它们在体内对抗干旱胁迫的功效有所提高。
• Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants
  申请人：BAYER CROPSCIENCE AKTIENGESELLSCHAFT

  公开号：US20180020662A1

  公开（公告）日：2018-01-25

  Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof as active ingredients to counter abiotic plant stress The invention relates to substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides of the general formula (I) and salts thereof where the R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , R 13 , R 14 , W, X and Y radicals and the index n are each as defined in the description, to processes for preparation thereof and to the use thereof for enhancing stress tolerance in plants with respect to abiotic stress, and/or for increasing plant yield.

  将1-环烷基-2-氧代四氢喹啉-6-磺酰胺或其盐作为活性成分来对抗非生物胁迫植物应激。该发明涉及通式(I)的被替代的1-环烷基-2-氧代四氢喹啉-6-磺酰胺及其盐，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、W、X和Y基团以及指数n均如描述中所定义，用于制备过程以及用于增强植物对非生物胁迫的耐受性和/或增加植物产量的用途。
• SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS
  申请人：Bayer CropScience Aktiengesellschaft

  公开号：US20180199575A1

  公开（公告）日：2018-07-19

  The invention relates to substituted oxotetrahydroquinolinylphosphin- and -phosphonamides of the general formula (I) and salts thereof where the radicals of the formula (I) are each as defined in the description for enhancing stress tolerance in plants to abiotic stress, and for enhancing plant growth and/or for increasing plant yield.

  该发明涉及一般式（I）的取代氧代四氢喹啉基磷和磷酰胺以及其盐，其中一般式（I）的基团如描述中所定义，用于增强植物对非生物胁迫的耐受性，并用于促进植物生长和/或增加植物产量。
• Tetrahydroquinolinyl phosphinamidates and phosphonamidates enhancing tolerance towards drought stress in crops via interaction with ABA receptor proteins
  作者：Jens Frackenpohl、Luka J.B. Decker、Jan Dittgen、Jörg Freigang、Pierre Génix、Hendrik Helmke、Gudrun Lange、Peter Luemmen、Jana Schmidt、Dirk Schmutzler、Jean-Pierre Vors

  DOI：10.1016/j.bmc.2020.115725

  日期：2020.11

  New phosphorous-containing lead structures against drought stress in crops interacting with RCAR/(PYR/PYL) receptor proteins were identified starting from in-depth SAR studies of related sulfonamide lead structures and protein docking studies. A converging 6-step synthesis via phosphinic chlorides and phosphono chloridates as key intermediates afforded envisaged tetrahydroquinolinyl phosphinamidates and phosphonamidates. Whilst tetrahydroquinolinyl phosphonamidates 13a,b exhibited low to moderate target affinities, the corresponding tetrahydroquinolinyl phosphinamidates 12a,b revealed confirmed strong affinities for RCAR/ (PYR/PYL) receptor proteins in Arabidopsis thaliana on the same level as essential plant hormone abscisic acid (ABA) combined with promising efficacy against drought stress in vivo (broad-acre crops wheat and canola).