(2-氯苯基)-(4-甲氧苄基)胺 | 356536-88-4

• 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: (2-氯苯基)-(4-甲氧苄基)胺
• 中文别名: 2-氯-N-(4-甲氧基苄基)苯胺
• 英文名称: (2-chlorophenyl)-(4-methoxybenzyl)amine
• 英文别名: 2-Chloro-N-(4-methoxybenzyl)aniline；2-chloro-N-[(4-methoxyphenyl)methyl]aniline
• CAS: 356536-88-4
• 化学式: C₁₄H₁₄ClNO
• mdl: MFCD02131301
• 分子量: 247.724
• InChiKey: RFAAXJJMIANGOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2-氯苯基)-(4-甲氧苄基)胺 在 palladium diacetate 、 2-二环己基磷-2,4,6-三异丙基联苯 水 、 碳酸氢钠 作用下， 以 四氢呋喃 、 醋酸异丙酯 、 异丙醇 为溶剂， 反应 25.17h， 生成 1-(4-methoxy-benzyl)-1,3-dihydrobenzoimidazol-2-one
  参考文献：
  名称：

  Efficient Access to Cyclic Ureas via Pd-Catalyzed Cyclization

  摘要：

  An efficient regioselective method for the preparation of structurally diverse imidazopyridinones and benzoimidazolones starting from readily available and economical starting materials is described. High-yielding reductive alkylation of electron-deficient o-haloarylamines followed by treatment with inexpensive N-chlorosulfonyl isocyanate afforded primary ureas in good overall yields. A Pd-catalyzed urea cyclization reaction furnished imidazopyridinones and benzoimidazolones in excellent yields. Overall, the developed chemistry provides rapid access to pharmaceutically important heterocyclic compounds with high efficiency.

  DOI：

  10.1021/ol061233j
• 作为产物：
  描述：

  4-甲氧基苯甲醛 、 邻氯苯胺 在 三乙酰氧基硼氢化钠 、 三氟乙酸 作用下， 以 醋酸异丙酯 为溶剂， 反应 0.17h， 以94%的产率得到(2-氯苯基)-(4-甲氧苄基)胺
  参考文献：
  名称：

  Efficient Access to Azaindoles and Indoles

  摘要：

  An expedient, catalytic method for the synthesis of diverse azaindoles and indoles, starting from readily available and inexpensive starting materials, is described. Conditions were developed for effective reductive alkylation of electron-deficient o-chloroarylamines, substrates previously viewed as poor partners in this reaction. The derived N-alkylated o-chloroarylamines were elaborated to N-alkylazaindoles and N-alkylindoles via a novel one-pot process comprising copper-free Sonogashira alkynylation and a base-mediated indolization reaction.

  DOI：

  10.1021/ol061232r

文献信息

• Crf antagonists and heterobicyclic compounds
  申请人：Nakai Hisao

  公开号：US20070027156A1

  公开（公告）日：2007-02-01

  CRF antagonists comprising as an active ingredient, the compound of formula (I) wherein A ring is 5-6 membered mono-cyclic ring which may be substituted; B ring is 5-7 membered unsaturated mono-heterocyclic ring which may be contained another 1-2 of hetero atom(s) and substituted by another substituents; W 1 and W 2 is carbon atom or nitrogen atom; Z is NR 3 , oxygen atom, sulfur which may be oxidized or CR 4 R 5 ; R 1 is alkyl, alkenyl or alkynyl that may be substituted, amino which may be protected, hydroxyl which may be protected, S(O) n R 6 , COR 7 , or cyclic group which may be substituted; R 2 is unsaturated cyclic group which may be substituted.

  CRF拮抗剂包括化合物(I)作为活性成分，其中A环是5-6成员单环，可以被取代；B环是5-7成员不饱和单杂环，可能包含另外1-2个杂原子，并被另外的取代基取代；W1和W2是碳原子或氮原子；Z是NR3、氧原子、硫，可以被氧化或CR4R5取代；R1是烷基、烯基或炔基，可以被取代，氨基可以被保护，羟基可以被保护，S（O）nR6、COR7或环状基团可以被取代；R2是不饱和环状基团，可以被取代。
• Cooperative Bimetallic Co−Mn Catalyst: Exploiting Metallo‐Organic and Hydrogen Bonded Interactions for Rechargeable C‐/N‐Alkylation
  作者：Manohar Shivaji Padmor、Palak Vishwakarma、Srinu Tothadi、Sanjay Pratihar

  DOI：10.1002/cctc.202300828

  日期：2023.10.20

  a reusable catalyst for C-/N-alkylation of alcohols with higher reaction efficiency and selectivity compared to individual components via its flexible binding sites, diverse hydrogen bond donor-acceptor fragments, rigidity, variable coordination mode, and cooperativity.

  本文公开了一种用于Co/Mn基超分子材料的柔性多齿配体(L)，作为可重复使用的醇C-/N-烷基化催化剂，与单个组分相比，通过其柔性结合位点具有更高的反应效率和选择性，多样的氢键供体-受体片段、刚性、可变的配位模式和协同性。
• CRF ANTAGONISTS AND HETEROBICYCLIC COMPOUNDS
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1666468A1

  公开（公告）日：2006-06-07

  CRF antagonists comprising as an active ingredient, the compound of formula (I) wherein A ring is 5-6 membered mono-cyclic ring which may be substituted; B ring is 5-7 membered unsaturated mono-heterocyclic ring which may be contained another 1-2 of hetero atom(s) and substituted by another substituents; W1 and W2 is carbon atom or nitrogen atom; Z is NR3, oxygen atom, sulfur which may be oxidized or CR4R5; R' is alkyl, alkenyl or alkynyl that may be substituted, amino which may be protected, hydroxyl which may be protected, S(O)nR6, COR7, or cyclic group which may be substituted; R2 is unsaturated cyclic group which may be substituted.

  CRF 拮抗剂，其活性成分包括式(I)化合物 其中 A 环为 5-6 个成员的单环，可被取代；B 环为 5-7 个成员的不饱和单杂环，可含有 1-2 个杂原子并被其他取代基取代；W1 和 W2 为碳原子或氮原子；Z 是 NR3、氧原子、可被氧化的硫或 CR4R5；R'是可被取代的烷基、烯基或炔基、可被保护的氨基、可被保护的羟基、S(O)nR6、COR7 或可被取代的环基；R2 是可被取代的不饱和环基。
• A Flexible, Palladium-Catalyzed Indole and Azaindole Synthesis by Direct Annulation of Chloroanilines and Chloroaminopyridines with Ketones
  作者：Marc Nazaré、Claudia Schneider、Andreas Lindenschmidt、David William Will

  DOI：10.1002/anie.200460122

  日期：2004.8.27
• COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC EQUIPMENT
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：US20170005274A1

  公开（公告）日：2017-01-05

  Disclosed are a compound having, as a main skeleton, a polycyclic structure represented by the following general formula (1), a material for organic electroluminescence devices including the compound, an organic electroluminescence device using the compound, and electronic equipment having the organic electroluminescence device mounted thereon. A compound capable of realizing an organic EL device with high emission efficiency, a material for organic electroluminescence devices including the compound, an organic electroluminescence device using the compound, and electronic equipment having the organic electroluminescence device mounted thereon, are provided. In the formula (1), A, L, X 1 to X 16 , R, R A , and R B are those defined in the specification.