1,2,3,4-tetrahydro-4-oxo-1-naphthoyl chloride | 128454-09-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,2,3,4-tetrahydro-4-oxo-1-naphthoyl chloride
• 英文别名: 4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride
• CAS: 128454-09-1
• 化学式: C₁₁H₉ClO₂
• 分子量: 208.644
• InChiKey: XTEFWFOUKZEXAU-UHFFFAOYSA-N

物化性质

• 沸点：
  317.7±41.0 °C(Predicted)
• 密度：
  1.313±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,2,3,4-tetrahydro-4-oxo-1-naphthoyl chloride 在 7-( tert-butyl)-2,5-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]quinoline 、 2-carbomethoxynorbornene 、 silver(I) acetate 、 palladium diacetate 作用下， 以 1,2-二氯乙烷 、 甲苯 为溶剂， 反应 36.0h， 生成 7-butyl-4-oxo-N-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
  参考文献：
  名称：

  Ligand-Enabled Meta-C–H Alkylation and Arylation Using a Modified Norbornene

  摘要：

  2-Carbomethoxynorbornene is identified as a more effective transient mediator to promote a Pd(II)-catalyzed meta-C(sp(2))-H alkylation of amides with various alkyl iodides as well as arylation with previously incompatible aryl iodides. The use of a tailor-made quinoline ligand is also crucial for this reaction to proceed.

  DOI：

  10.1021/jacs.5b08914
• 作为产物：
  描述：

  4-氧代-1,2,3,4-四氢萘-1-羧酸 在 草酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 1,2,3,4-tetrahydro-4-oxo-1-naphthoyl chloride
  参考文献：
  名称：

  Ligand-Enabled Meta-C–H Alkylation and Arylation Using a Modified Norbornene

  摘要：

  2-Carbomethoxynorbornene is identified as a more effective transient mediator to promote a Pd(II)-catalyzed meta-C(sp(2))-H alkylation of amides with various alkyl iodides as well as arylation with previously incompatible aryl iodides. The use of a tailor-made quinoline ligand is also crucial for this reaction to proceed.

  DOI：

  10.1021/jacs.5b08914

文献信息

• Analgesic thiomorpholins their preparation, and pharmaceutical
  申请人：Sankyo Company Limited

  公开号：US05021413A1

  公开（公告）日：1991-06-04

  Analgesic compounds are of the general formula (I): ##STR1## in which, R.sup.1 and R.sup.2 each represents hydrogen or C.sub.1 -C.sub.6 alkyl, or R.sup.1 and R.sup.2 together with the nitrogen atom to which they are attached form a heterocycle; E represents methylene, sulfur, oxygen or imino group optionally substituted with C.sub.1 -C.sub.6 alkyl or aralkyl; ring A is aryl or heteroaryl ring, optionally substituted; R.sup.3 is hydrogen or C.sub.1 -C.sub.6 alkyl and R.sup.4 is hydrogen or R.sup.3 and R.sup.4 together represent a group of formula (IV): --(CR.sup.a R.sup.a).sub.m --C(.dbd.Y)-- (IV) (wherein R.sup.a and R.sup.a is C.sub.1 -C.sub.6 alkyl or hydrogen, up to a maximum of 3 alkyl groups, m is 1, 2, or 3, and Y is two hydrogens or oxygen); provided that when E represents a methylene group, then R.sup.3 is a C.sub.1 -C.sub.6 alkyl group or R.sup.3 and R.sup.4 together represent a group of the formula (IV).

  镇痛化合物的一般式为（I）：##STR1## 在其中，R.sup.1和R.sup.2分别代表氢或C.sub.1-C.sub.6烷基，或者R.sup.1和R.sup.2与它们连接的氮原子一起形成杂环；E代表亚甲基、硫、氧或亚胺基，可选择地用C.sub.1-C.sub.6烷基或芳基取代；环A是芳基或杂芳基环，可选择地取代；R.sup.3是氢或C.sub.1-C.sub.6烷基，R.sup.4是氢或R.sup.3和R.sup.4一起代表式（IV）的基团：--(CR.sup.aR.sup.a).sub.m--C(.dbd.Y)--（IV）（其中R.sup.a和R.sup.a是C.sub.1-C.sub.6烷基或氢，最多有3个烷基基团，m为1、2或3，Y为两个氢或氧）；但是当E代表亚甲基时，R.sup.3是C.sub.1-C.sub.6烷基基团或R.sup.3和R.sup.4一起代表式（IV）的基团。
• Analgesic compounds, their preparation, and pharmaceutical compositions
  申请人：Sankyo Company, Limited

  公开号：US05270327A1

  公开（公告）日：1993-12-14

  Analgesic compounds of the formula (I): ##STR1## in which, R.sup.1 R.sup.2 each represents hydrogen or C.sub.1 -C.sub.6 alkyl, or R.sup.1 and R.sup.2 together with the nitrogen atom to which they are attached form a 5-6-membered N-heterocyclic ring optionally having a further O, N, or S heteroatom; E represents methylene; ring A is an unsubstituted or substituted benzene or naphthalene; R.sup.3 and R.sup.4 together represent a group of formula (IV): --(CR.sup.a R.sup.a).sub.m --C(=Y)-- (IV) wherein R.sup.a and R.sup.a is C.sub.1 -C.sub.6 alkyl or hydrogen with up to a maximum of 3 alkyl groups, m is 1, 2, or 3, and Y is two hydrogens or oxygens.

  式(I)的镇痛化合物：##STR1## 其中，R.sup.1和R.sup.2各代表氢或C.sub.1-C.sub.6烷基，或R.sup.1和R.sup.2连同它们所连接的氮原子形成一个5-6元杂环，可选地具有另外的O，N或S杂原子；E代表亚甲基；环A是未取代或取代的苯或萘；R.sup.3和R.sup.4共同表示公式(IV)的一个基团：--(CR.sup.a R.sup.a).sub.m --C(=Y)-- (IV)，其中R.sup.a和R.sup.a是C.sub.1-C.sub.6烷基或氢，最多有3个烷基基团，m为1、2或3，Y为两个氢或氧原子。
• Analgesic carboxylic acid amide derivatives
  申请人：Sankyo Company Limited

  公开号：EP0356247A1

  公开（公告）日：1990-02-28

  Analgesic compounds are of the general formula (I): in which, R¹ and R² each represents hydrogen or C₁-C₆ alkyl, or R¹ and R² together with the nitrogen atom to which they are attached form a heterocycle; E represents methylene, sulphur, oxygen or imino group optionally substituted with C₁-C₆ alkyl or aralkyl; ring A is aryl or heteroaryl ring, optionally substituted; R³ is hydrogen or C₁-C₆ alkyl and R⁴ is hydrogen or R³ and R⁴ together represent a group of formula (IV): -(CRaRa)m-C(=Y)-      (IV) (wherein Ra and Ra is C₁-C₆ alkyl or hydrogen, up to a maximum of 3 alkyl groups, m is 1, 2, or 3, and Y is two hydrogens or oxygen); provided that when E represents a methylene group, then R³ is a C₁-C₆ alkyl group or R³ and R⁴ together represent a group of the formula (IV).

  镇痛化合物的通式为(I)： 其中，R¹ 和 R² 各自代表氢或 C₁-C₆烷基，或 R¹ 和 R² 与它们所连接的氮原子一起形成杂环；E 代表亚甲基、硫、氧或亚氨基，可选择被 C₁-C₆ 烷基或芳烷基取代；环 A 是任选被取代的芳基或杂芳基环；R³ 是氢或 C₁-C₆ 烷基，R⁴ 是氢或 R³ 和 R⁴ 共同代表式 (IV) 的基团： -(CRaRa)m-C(=Y)-(IV) (其中 Ra 和 Ra 是 C₁-C₆ 烷基或氢，最多 3 个烷基，m 是 1、2 或 3，Y 是两个氢或氧)；条件是当 E 代表亚甲基时，R³ 是 C₁-C₆ 烷基或 R³ 和 R⁴ 共同代表式(IV)的基团。
• EP0356247B1
  申请人：——

  公开号：EP0356247B1

  公开（公告）日：1993-03-17
• US5021413A
  申请人：——

  公开号：US5021413A

  公开（公告）日：1991-06-04