(+)-cis-2-benzamidocyclohexanecarboxylic acid | 26685-82-5

• 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: (+)-cis-2-benzamidocyclohexanecarboxylic acid
• 英文别名: (1S,2R)-2-(benzoylamino)cyclohexanecarboxylic acid；(+)-(1S,2R)-2-benzamidocyclohexanecarboxylic acid；(-)-cis-2-benzamidocyclohexanecarboxylic acid；(1R,2S)-2-benzamidocyclohexanecarboxylic acid；(1R,2S)-cis-2-Benzamidocyclohexancarbonsaeure；(1S,2R)-2-benzamidocyclohexane-1-carboxylic acid
• CAS: 26685-82-5
• 化学式: C₁₄H₁₇NO₃
• 分子量: 247.294
• InChiKey: PUANNVQABXUYKU-NWDGAFQWSA-N

物化性质

• 熔点：
  205-209 °C(lit.)
• 沸点：
  506.1±43.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2924299090
• 安全说明：
  S26,S37/39

反应信息

• 作为反应物：
  描述：

  (+)-cis-2-benzamidocyclohexanecarboxylic acid 在 乙醚 作用下， 以 盐酸 为溶剂， 反应 48.0h， 以to afford (1S,2R)-2-aminocyclohexanecarboxylic acid as a white solid的产率得到(1RS,2SR)-2-aminocyclohexanecarboxylic acid
  参考文献：
  名称：

  Antiamyloid phenylsulfonamides: N-cycloalkylcarboxamides derivatives

  摘要：

  本文描述了一系列公式I的N-环烷基羧酰胺衍生物的N-苯甲基苯磺酰胺。这些化合物抑制β-淀粉样肽（β-AP）的产生，可用于治疗阿尔茨海默病和其他表现为异常细胞外β-淀粉样沉积的疾病。还公开了使用这些化合物的药物组合物和治疗方法。

  公开号：

  US20050113442A1

文献信息

• [EN] FUSED QUINOLINE DERIVATIVE AND USE THEREOF<br/>[FR] DÉRIVÉ DE QUINOLINE FUSIONNÉE ET UTILISATION DE CELUI-CI
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2005105802A1

  公开（公告）日：2005-11-10

  The present invention aims at provision of a quinoline derivative having a neurokinin 2 (NK2) receptor antagonistic action and relates to a compound represented by the formula (I) wherein Rl is a hydrogen atom and the like; R2 is a hydrogen atom, a hydrocarbon group optionally having substituent(s) and the like; R3 is unsubstituted (i.e., absence), a hydrogen atom and the like; R4 and R5 are the same or different and each is a hydrogen atom, a hydrocarbon group optionally having substituent(s), and the like; R6 is (cyclic group optionally having substituent(s)) -carbonyl, and the like; R7, R8, R9 and R10 are the same or different and each is a hydrogen atom, halogen and the like; or R7 and R8, R8 and R9, and R9 and R10 may form a ring together with the adjacent carbon atoms; n is an integer of 1 to 5; --- represents unsubstituted (i.e., absence) or a single bond; and --- represents a single bond or a double bond, or a salt thereof, and the like.

  本发明旨在提供一种具有神经激肽2（NK2）受体拮抗作用的喹啉衍生物，并涉及一种由式（I）表示的化合物，其中R1是氢原子等；R2是氢原子，可选地具有取代基的碳氢基团等；R3是未取代的（即缺失），氢原子等；R4和R5相同或不同，每个是氢原子，可选地具有取代基的碳氢基团等；R6是（环状基团，可选地具有取代基）-羰基等；R7、R8、R9和R10相同或不同，每个是氢原子，卤素等；或R7和R8、R8和R9、以及R9和R10可以与相邻的碳原子一起形成环；n是1到5的整数；---表示未取代的（即缺失）或单键；---表示单键或双键，或其盐等。
• Oxadiazole derivatives and drugs containing these derivatives as the active ingredient
  申请人：——

  公开号：US20030166573A1

  公开（公告）日：2003-09-04

  An oxadiazole derivative of formula (I) and a non-toxic salt thereof, 1 wherein R is hydrogen, alkyl, CycA, etc.; AA 1 is a single bond, amino acid residue, etc.; AA 2 is a single bond, amino acid residue, etc.; R 7 and R 8 are hydrogen, alkyl, etc.; R 9 is hydrogen, alkyl, etc.; R 10 is hydrogen, alkyl, etc.). The compound of formula (I) has an inhibitory activity against cysteine protease and therefore it is useful as an agent for the prophylaxis and/or treatment of inflammatory diseases, diseases induced by apoptosis, diseases induced by disorders of immune responses, autoimmune diseases, diseases induced by decomposition of proteins which compose organism, shock, circulatory system disorders, blood coagulation system disorders, malignant tumors, acquired immune deficiency syndrome (AIDS) and AIDS-related complex (ARC), parasitic diseases, nerve degeneration diseases, pulmonary disorders, bone resorption diseases, endocrinesthenia, etc.

  公式（I）的一种噁二唑衍生物及其非毒性盐，其中R为氢、烷基、环烷A等；AA1为单键、氨基酸残基等；AA2为单键、氨基酸残基等；R7和R8为氢、烷基等；R9为氢、烷基等；R10为氢、烷基等。公式（I）的化合物具有对半胱氨酸蛋白酶的抑制活性，因此它可用作预防和/或治疗炎症性疾病、细胞凋亡诱导的疾病、免疫反应紊乱诱导的疾病、自身免疫疾病、由组成生物体的蛋白质分解诱导的疾病、休克、循环系统紊乱、血液凝固系统紊乱、恶性肿瘤、获得性免疫缺陷综合症（AIDS）和AIDS相关综合症（ARC）、寄生虫病、神经退行性疾病、肺部疾病、骨吸收疾病、内分泌虚弱等方面的药物。
• Novel chiral ammonium ionic liquids as efficient organocatalysts for asymmetric Michael addition of aldehydes to nitroolefins
  作者：Wan-Hui Wang、Xiang-Bo Wang、Koichi Kodama、Takuji Hirose、Guang-You Zhang

  DOI：10.1016/j.tet.2010.05.030

  日期：2010.7

  Two chiral ammonium ionic liquids 1a and 1b have been newly synthesized from commercially available (+)-cis-2-benzamidocyclohexanecarboxylic acid. These CILs have been demonstrated to be efficient organocatalysts for asymmetric Michael addition of aldehydes to nitroolefins with excellent yields (up to 99%), high enantioselectivities (up to 90%) and modest to high diastereoselectivities (syn/anti ratio

  两种手性铵离子液体1a和1b是由可商购获得的（+）-顺式-2-苯甲酰胺基环己烷羧酸新合成的。这些CILS已被证明是不对称迈克尔加成醛以nitroolefins具有优异的产率（高达99％），对映体选择性高（高达90％）和适度的高非对映选择性（高效有机催化剂顺/反比高达99/1 ）。
• RECYCLABLE CHIRAL CATALYST FOR ASYMMETRIC NITROALDOL REACTION AND PROCESS FOR THE PREPARATION THEREOF
  申请人：COUNCIL OF SCIENTIFIC 7 INDUSTRIAL RESEARCH

  公开号：US20150368181A1

  公开（公告）日：2015-12-24

  The present invention relates to preparation of highly efficient chiral recyclable homogeneous catalysts generated in situ by the reaction of chiral oligomeric [H 4 ] ligands and a metal salt taken in 1:1 molar ratio for asymmetric nitroaldol reaction, wherein nitroaldol reactions of various aldehydes such as aromatic, aliphatic α,β-unsaturated aldehydes, alicyclic aldehydes and nitroalkenes were carried out to produce optically active β-nitroalcohols in high yield and with moderate to excellent enantioselectivity (ee up to >95%) in presence of a base and an optically active chiral recyclable homogeneous catalyst represented by the following formula (I).

  本发明涉及通过手性寡聚[H4]配体与金属盐在1:1摩尔比下反应生成原位高效手性可回收均相催化剂的制备，用于不对称硝基醛醇反应，其中对各种醛（如芳香族、脂肪族α,β-不饱和醛、脂环醛和硝基烯烃）进行硝基醛醇反应，以高产率和中等到优异对映选择性（ee高达>95%）在碱和以下式（I）所示的手性可回收均相催化剂存在下产生光学活性β-硝基醇。
• Synthesis of nitrogen substituted cyclopropanes
  申请人：Chemo Ibérica, S.A.

  公开号：EP2589587A1

  公开（公告）日：2013-05-08

  The invention is about a new synthetic pathway for the preparation of enantiomerically pure nitrogen substituted cyclopropanes, in particular the trans-cyclopropanamine (1), a key intermediate in the synthesis of Ticagrelor: The invention also relates to the processes for preparing said compounds or their salts and the use of said compounds as intermediates in preparing pharmaceutically active ingredients.

  这项发明涉及一种新的合成途径，用于制备对映纯的氮取代环丙烷，特别是trans-环丙胺（1），这是Ticagrelor合成中的关键中间体：该发明还涉及制备所述化合物或其盐的过程，以及将所述化合物用作制备药用活性成分的中间体的用途。