(2E)-2-[(4-propan-2-ylphenyl)methylidene]cyclohexan-1-one

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (2E)-2-[(4-propan-2-ylphenyl)methylidene]cyclohexan-1-one
• 化学式: C₁₆H₂₀O
• 分子量: 228.33
• InChiKey: YIVMYXSUOIAOJK-RVDMUPIBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (2E)-2-[(4-propan-2-ylphenyl)methylidene]cyclohexan-1-one 、 硫脲 以81%的产率得到
  参考文献：
  名称：

  HAMMAM, A. G.;ALI, A. S.;YOUSSIF, N. M., EGYPT. J. CHEM., 1983, 26, N 6, 461-467

  摘要：

  DOI：

文献信息

• Process for preparing nitrooxyalkyl substituted esters of carboxylic acids, intermediates useful in said process and preparation thereof
  申请人：Del Soldato Piero

  公开号：US20070112194A1

  公开（公告）日：2007-05-17

  The present invention refers to a process for preparing a compound of general formula (A), as reported in the description, wherein R is a radical of a drug and R1-R12 are hydrogen or alkyl groups, m, n, o, q, r and s are each independently an integer from 0 to 6, and p is 0 or 1, and X is O, S, SO, SO2, NR13 or PR13 or an aryl, heteroaryl group, said process comprising reacting a compound of formula (B) R—COOZ (B) wherein R is as defined above and Z is hydrogen or a cation selected from: Li+, Na+, K+, Ca++, Mg++, tetralkylammonium, tetralkylphosphonium, with a compound of formula (C), as reported in the description, wherein R1-R12 and m, n, o, p, q, r, s are as defined above and Y is a suitable leaving group.

  本发明涉及一种制备通式（A）化合物的方法，如描述中所述，其中R为药物的基团，R1-R12为氢或烷基，m、n、o、q、r和s各自独立地为0到6的整数，p为0或1，X为O、S、SO、SO2、NR13或PR13或芳基、杂环基，该方法包括将通式（B）R-COOZ（B）化合物与通式（C）所述的化合物反应，其中R和Z如上定义，Z为氢或选择自Li+、Na+、K+、Ca++、Mg++、四烷基铵、四烷基磷酸盐的阳离子，通式（C）中R1-R12和m、n、o、p、q、r、s如上定义，Y为适当的离去基。
• PROCESS FOR PREPARING NITROOXYALKYL SUBSTITUTED ESTERS OF CARBOXYLIC ACIDS, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF
  申请人：DEL SOLDATO Piero

  公开号：US20100217028A1

  公开（公告）日：2010-08-26

  The present invention refers to a process for preparing a compound of general formula (A), as reported in the description, wherein R is a radical of a drug and R1-R12 are hydrogen or alkyl groups, m, n, o, q, r and s are each independently an integer from 0 to 6, and p is 0 or 1, and X is O, S, SO, SO2, NR13 or PR13 or an aryl, heteroaryl group, said process comprising reacting a compound of formula (B) R—COOZ (B) wherein R is as defined above and Z is hydrogen or a cation selected from: Li+, Na+, K+, Ca++, Mg++, tetralkylammonium, tetralkylphosphonium, with a compound of formula (C), as reported in the description, wherein R1-R12 and m, n, o, p, q, r, s are as defined above and Y is a suitable leaving group.

  本发明涉及一种制备一般式（A）化合物的过程，如描述所述，其中R是药物的基团，R1-R12是氢或烷基，m，n，o，q，r和s分别独立地为0至6的整数，p为0或1，X为O，S，SO，SO2，NR13或PR13或芳基，杂环基，所述过程包括反应一种化合物的公式（B）R-COOZ（B），其中R如上定义，Z为氢或选自：Li+，Na+，K+，Ca++，Mg++，四烷基铵，四烷基膦的阳离子，与一种公式（C）的化合物，如描述所述，其中R1-R12和m，n，o，p，q，r，s如上定义，Y是适当的离去基团。
• MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC
  申请人：ANDERSSON Johan

  公开号：US20090170934A1

  公开（公告）日：2009-07-02

  The present invention relates to a new process for the preparation of NO-donating compounds using a sulfonated intermediate. The invention relates to new intermediates prepared therein suitable for large scale manufacturing of NO-donating compounds. The invention further relates to the use of the new intermediates for the manufacturing of pharmaceutically active NO-donating compounds. The invention further relates to a substantially crystalline form of NO-donating NSAIDs, especially 2-[2-(nitrooxy)ethoxy]ethyl 2-[(2,6-dichlorophenyl)amino]phenyl}acetate, the preparation thereof and to pharmaceutical formulations containing said crystalline form and to the use of said crystalline form in the preparation of a medicament.

  本发明涉及一种使用磺化中间体制备NO供体化合物的新工艺。该发明涉及其中制备的适用于NO供体化合物大规模生产的新中间体。本发明还涉及使用新中间体制造药用活性NO供体化合物。此外，本发明还涉及NO供体NSAIDs的实质晶体形式，特别是2-[2-(硝氧基)乙氧基]乙基2-[(2,6-二氯苯基)氨基]苯基}乙酸酯的制备，以及含有该晶体形式的制药配方和在制备药物时使用该晶体形式的用途。
• Use of nitric ester derivatives in the manufacture of a medicament for the treatment of gastrointestinal tumors
  申请人：NicOx S.A.

  公开号：EP1437132B1

  公开（公告）日：2008-12-03
• Drugs for the arthritis treatment
  申请人：Del Soldato Piero

  公开号：US20070010458A1

  公开（公告）日：2007-01-11

  Antiinflammatory and/or antiinflammatory/analgesic compounds having the following general formula: A-(B) b0 —(C) c0 —N(O) s (I) or salts thereof, wherein: A contains the radical of a non steroidal antiinflammatory or non steroidal antiinflammatory/analgesic drug, B and C are bivalent linking groups, are used in the arthritis therapy.