2-萘羧酸,1,2,3,4-四氢-1-羰基-6-(苯基甲氧基)-,乙基酯 | 183798-79-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 2-萘羧酸,1,2,3,4-四氢-1-羰基-6-(苯基甲氧基)-,乙基酯
• 英文名称: ethyl-6-benzyloxy-1,2,3,4-tetrahydro-1-oxo-β-naphthoate
• 英文别名: ethyl 6-benzyloxy-1-oxo-2,3,4-trihydro-2-naphthalenecarboxylate；ethyl 1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalene-2-carboxylate
• CAS: 183798-79-0
• 化学式: C₂₀H₂₀O₄
• 分子量: 324.376
• InChiKey: FWVYHUBWDGYZFQ-UHFFFAOYSA-N

物化性质

• 沸点：
  490.6±45.0 °C(Predicted)
• 密度：
  1.194±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-萘羧酸,1,2,3,4-四氢-1-羰基-6-(苯基甲氧基)-,乙基酯 在 palladium 10% on activated carbon 氢气 作用下， 以 盐酸 、 乙醇 、 水 为溶剂， 20.0 ℃ 、34.47 kPa 条件下， 反应 7.0h， 以80%的产率得到6-羟基-1,2,3,4-四氢萘-2-羧酸乙酯
  参考文献：
  名称：

  [EN] NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  [FR] NOUVEAUX COMPOSES ET LEUR UTILISATION EN MEDECINE, LEUR PROCEDE DE PREPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT

  摘要：

  公开号：

  WO2005040102A3
• 作为产物：
  描述：

  氯化苄 在 sodium hydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 12.0h， 生成 2-萘羧酸,1,2,3,4-四氢-1-羰基-6-(苯基甲氧基)-,乙基酯
  参考文献：
  名称：

  自由基-极性交叉环化光诱导合成多环γ-磺基甜菜碱

  摘要：

  本文描述的是苯并稠合高烯丙基甲苯磺酸酯的可见光介导的自由基加成/SO 2插入/阴离子环化，允许获得多种否则难以获得的氟甲基化多环γ-磺基磺胺，其在49中具有两个相邻的四取代碳立构中心–95% 的产率，可以进一步容易地官能化为大体积的两个相邻四取代的含碳苯并稠合γ-磺内酯和巯基烷醇。氟代烷亚磺酸钠被用作氟甲基和SO 2的双官能化试剂。环化通过逐步光诱导自由基加成进行，随后在SO 2插入后进行分子内5-外型-tet阴离子取代环化。

  DOI：

  10.1002/adsc.202300616

文献信息

• Benzimidazole and Benzoxazole Zinc Chelators as Inhibitors of Metallo‐β‐Lactamase NDM‐1
  作者：Abigail C. Jackson、Tyler B. J. Pinter、Daniel C. Talley、Adnan Baker‐Agha、Dhruvil Patel、Paul J. Smith、Katherine J. Franz

  DOI：10.1002/cmdc.202000607

  日期：2021.2.17

  Bacterial expression of β‐lactamases, which hydrolyze β‐lactam antibiotics, contributes to the growing threat of antibacterial drug resistance. Metallo‐β‐lactamases, such as NDM‐1, use catalytic zinc ions in their active sites and hydrolyze nearly all clinically available β‐lactam antibiotics. Inhibitors of metallo‐β‐lactamases are urgently needed to overcome this resistance mechanism. Zinc‐binding compounds

  细菌表达β-内酰胺酶，可水解β-内酰胺抗生素，导致抗菌药物耐药性的威胁日益严重。金属-β-内酰胺酶，例如 NDM-1，在其活性位点使用催化锌离子，并水解几乎所有临床上可用的 β-内酰胺抗生素。迫切需要金属-β-内酰胺酶抑制剂来克服这种耐药机制。锌结合化合物是抑制剂开发的有前景的先导化合物，因为许多 NDM-1 抑制剂含有锌结合药效团。在这里，我们评估了 13 种含有苯并咪唑和苯并恶唑支架的螯合剂作为 NDM-1 抑制剂。其中六种化合物显示出有效的抑制活性，IC 50值低至 0.38 μM，并且几种化合物恢复了表达 NDM-1 的大肠杆菌对美罗培南的敏感性。光谱和对接研究表明三元复合物的形成是抑制机制，使得这些化合物有望作为 NDM-1 抑制剂进行开发。
• Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them
  申请人：Debnath Bhunia

  公开号：US20070093476A1

  公开（公告）日：2007-04-26

  The present invention relates to novel compounds of formula (I) and their pharmaceutically acceptable salts, wherein ring “Ar 1 ” represents a monocyclic or polycyclic aromatic or partially saturated aromatic polycyclic, which may optionally contain up to 3 heteroatoms selected from N, S or O. The said monocyclic or polycyclic ring may be unsubstituted or have up to 4 substituents which may be identical or different; m and n independently represents an integer from 0 to 6; A represents O, S or bond; Y is selected from (CH 2 ) p′ (CH 2 ) p B(CH 2 ) q′ (CH 2 ) r B(CH 2 ) p D(CH 2 ) p′ where p, q and r each independently represents an integer from 0 to 6; B and D independently represents S, O, NR 4 or a bond, with a proviso that when B and D represents hereto atom p is not zero; R 4 represents hydrogen, alkyl, alkenyl, —S(O) 2 —R 8 or —C(O)R 8 where R 8 is alkyl, alkoxy; R 5 and R 6 independently represents hydrogen, alkyl, cycloalkyl or alkoxy; R 5 and R 6 together may form 3-8 membered cyclic ring which may optionally contains one or two hereto atoms selected from O, S or N; R 7 represents hydrogen, optionally substituted groups selected form alkyl, cycloalkyl, alkenyl or alkynyl. The present invention also relates to a process for preparation of compounds of formula (I), to pharmaceutical compositions containing compounds of formula (I) and their use in particular as antidiabetic, hypolipidemic, antiobesity and hypocholesterolemic agents.

  本发明涉及公式（I）的新化合物及其药学上可接受的盐，其中环“Ar1”表示单环或多环芳香或部分饱和芳香多环，可选含有最多3个选自N、S或O的杂原子。所述的单环或多环环可以未取代或具有最多4个相同或不同的取代基；m和n分别表示0到6的整数；A表示O、S或键；Y选自（CH2）p′（ ）pB（ ）q′（ ）rB（ ）pD（ ）p′，其中p、q和r各自独立地表示0到6的整数；B和D分别表示S、O、NR4或键，条件是当B和D表示杂原子时，p不为零；R4表示氢、烷基、烯基、—S（O）2—R8或—C（O）R8，其中R8为烷基、烷氧基；R5和R6各自独立地表示氢、烷基、环烷基或烷氧基；R5和R6可以一起形成3-8成员环，该环可以选择性地包含选自O、S或N的一个或两个杂原子；R7表示氢、可选地从烷基、环烷基、烯基或炔基中选择的取代基。本发明还涉及公式（I）化合物的制备方法，含有公式（I）化合物的制药组合物以及其作为抗糖尿病、降脂、抗肥胖和降胆固醇药物的应用。
• Polycyclic compound, liquid crystal material consisting of the
  申请人：Mitsui Chemicals, Inc.

  公开号：US06019911A1

  公开（公告）日：2000-02-01

  Disclosed is a polycyclic compound represented by the following formula (I): R.sup.1 --X.sup.1 --[A.sup.1 --X.sup.2 ]--[A.sup.2 --X.sup.3 ]--R.sup.2 (I) wherein R.sup.1 is a (halogenated) alkyl group of 6 to 16 carbon atoms, X.sup.1 is --O-- group or a single bond, A.sup.1 is a biphenylene group, a phenylene group or the like, A.sup.2 is 1-fluoro-3,4-dihydronaphthalene or the like, X.sup.2 and X.sup.3 are each --COO--, a single bond or the like, and R.sup.2 is an optically active group of 4 to 20 carbon atoms which has at least one asymmetric carbon atom. Also disclosed are a liquid crystal material consisting of the polycyclic compound, a liquid crystal composition comprising the liquid crystal material, and a liquid crystal element. This novel polycyclic compound is optically active and capable of being in a smectic phase in a wide temperature range including room temperature. The polycyclic compound can be used as a ferroelectric liquid crystal material or an antiferroelectric liquid crystal material. By the use of the liquid crystal material of the invention, a liquid crystal element having a quick response speed in a wide temperature range can be obtained.

  本发明公开了一种多环化合物，其化学式为(I)：R.sup.1 --X.sup.1 --[A.sup.1 --X.sup.2 ]--[A.sup.2 --X.sup.3 ]--R.sup.2 (I)，其中R.sup.1是具有6至16个碳原子的(卤代)烷基，X.sup.1为--O--基团或单键，A.sup.1为联苯基团，苯基团或类似物，A.sup.2为1-氟-3,4-二氢萘或类似物，X.sup.2和X.sup.3分别为--COO--，单键或类似物，R.sup.2是具有至少一个不对称碳原子的4至20个碳原子的手性基团。本发明还公开了由该多环化合物组成的液晶材料、包括该液晶材料的液晶组合物以及液晶元件。该新型多环化合物是手性的，并且能够在包括室温在内的广泛温度范围内处于液晶相。该多环化合物可以用作铁电液晶材料或反铁电液晶材料。通过使用本发明的液晶材料，可以获得具有广泛温度范围内快速响应速度的液晶元件。
• POLYCYCLIC COMPOUND, LIQUID-CRYSTAL MATERIAL COMPOSED OF THE COMPOUND, AND LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DEVICE CONTAINING THE MATERIAL
  申请人：MITSUI PETROCHEMICAL INDUSTRIES, LTD.

  公开号：EP0826659A1

  公开（公告）日：1998-03-04

  Disclosed is a polycyclic compound represented by the following formula (I):         R1-X1-[A1-X2]-[A2-X3]-R2     (I) wherein R1 is a (halogenated) alkyl group of 6 to 16 carbon atoms, X1 is -O- group or a single bond, A1 is a biphenylene group, a phenylene group or the like, A2 is 1-fluoro-3,4-dihydronaphthalene or the like, X2 and X3 are each -COO-, a single bond or the like, and R2 is an optically active group of 4 to 20 carbon atoms which has at least one asymmetric carbon atom. Also disclosed are a liquid crystal material consisting of the polycyclic compound, a liquid crystal composition comprising the liquid crystal material, and a liquid crystal element. This novel polycyclic compound is optically active and capable of being in a smectic phase in a wide temperature range including room temperature. The polycyclic compound can be used as a ferroelectric liquid crystal material or an antiferroelectric liquid crystal material. By the use of the liquid crystal material of the invention, a liquid crystal element having a quick response speed in a wide temperature range can be obtained.

  本发明公开了一种由下式 (I) 表示的多环化合物： R1-X1-[A1-X2]-[A2-X3]-R2 (I) 其中 R1 是 6 至 16 个碳原子的（卤代）烷基，X1 是-O-基团或单键，A1 是联苯基团、亚苯基或类似基团，A2 是 1-氟-3,4-二氢萘或类似基团，X2 和 X3 分别是-COO-、单键或类似基团，R2 是 4 至 20 个碳原子的光学活性基团，其中至少有一个不对称碳原子。此外，还公开了一种由该多环化合物组成的液晶材料、一种由该液晶材料组成的液晶组合物和一种液晶元件。这种新型多环化合物具有光学活性，能够在包括室温在内的较宽温度范围内处于熔融相。这种多环化合物可用作铁电液晶材料或反铁电液晶材料。通过使用本发明的液晶材料，可以获得在宽温度范围内具有快速响应速度的液晶元件。
• US6019911A
  申请人：——

  公开号：US6019911A

  公开（公告）日：2000-02-01