1-甲氧基-2-甲基萘 | 14093-86-8

• 物质功能分类: 化学试剂 - 有机试剂 - 多环化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1-甲氧基-2-甲基萘
• 英文名称: 1-Methoxy-2-methyl-naphthalin
• 英文别名: 1-methoxy-2-methylnaphthalene
• CAS: 14093-86-8
• 化学式: C₁₂H₁₂O
• 分子量: 172.227
• InChiKey: GXIFCLBPAVRDAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2909309090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温下应存放在干燥密封的环境中。

反应信息

• 作为反应物：
  描述：

  1-甲氧基-2-甲基萘 在 双氧水 、 potassium hexacyanoferrate(III) 作用下， 以 正己烷 、 水 、 溶剂黄146 为溶剂， 生成 甲萘醌
  参考文献：
  名称：

  Process for producing 2-methyl-1,4-naphthoquinone

  摘要：

  一种改进的工艺，用于高产2-甲基-1,4-萘醌，包括在六氰合铁酸或其盐催化剂存在下，将1-低烷氧基-2-甲基萘与过氧化氢反应。这种工艺不像传统方法那样使用危险的铬化合物。

  公开号：

  US04906411A1
• 作为产物：
  描述：

  1-溴-2-甲基萘 生成 1-甲氧基-2-甲基萘
  参考文献：
  名称：

  ARANAKA, ATSUSI;NARABEH, SATIO

  摘要：

  DOI：

文献信息

• Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20040054173A1

  公开（公告）日：2004-03-18

  Compounds having activity against production of an inflammatory cytokine of formula (I)′: 1 A′ is pyrrole; R 1′ is phenyl or naphthyl; R 2′ is pyridyl or pyrimidinyl; R 3′ is (IIa)′, (IIb)′ or (IIc)′: 2 m′ is 1; E′ is nitrogen; D′ is >C(R 5′ )—, R 5′ is hydrogen, Substituent &agr;′ or Substituent &bgr;′; B′ is nitrogen-containing 5-membered heterocyclic; R 4′ is 1 to 3 substituents from Substituent &agr;′, Substituent &bgr;′ and Substituent &ggr;′; R 1′ and R 3′ are bonded to two atoms of the pyrrole adjacent to the pyrrole atom bonded to R 2′ ; Substituent &agr;′ is hydroxyl, nitro, cyano, halogen, alkoxy, halogeno alkoxy, alkylthio, halogeno alkylthio or —NR a′ R b′ ; R a′ and R b′ are hydrogen, alkyl, alkenyl, alkynyl, aralkyl or alkylsulfonyl, or R a′ and R b′ with the nitrogen atom form a heterocyclyl; Substituent &bgr;′ is alkyl, alkenyl, alkynyl, aralkyl or cycloalkyl; Substituent &ggr;′ is oxo, hydroxyimino, alkoxyimino, alkylene, alkylenedioxy, alkylsulfinyl, alkylsulfonyl, aryl, aryloxy, alkylidenyl or aralkylidenyl.

  具有对抗公式(I)′炎症细胞因子生成活性的化合物： 1 A′是吡咯；R 1′ 是苯基或萘基；R 2′ 是吡啶基或嘧啶基；R 3′ 是(IIa)′，(IIb)′或(IIc)′： 2 m′是1；E′是氮；D′是>C(R 5′ )—, R 5′ 是氢，取代基α′或取代基β′；B′是含氮的5-成员杂环；R 4′ 是来自取代基α′，取代基β′和取代基γ′的1至3个取代基；R 1′ 和R 3′ 分别与吡咯环上与R 2′ 相连的吡咯原子的两个相邻原子成键；取代基α′是羟基，硝基，氰基，卤素，烷氧基，卤代烷氧基，烷基亚砜，卤代烷基亚砜或—NR a′ R b′ ；R a′ 和R b′ 是氢，烷基，烯基，炔基，芳烷基或烷基亚磺酰基，或者R a′ 和R b′ 与氮原子形成杂环；取代基β′是烷基，烯基，炔基，芳烷基或环烷基；取代基γ′是氧代，羟基亚胺，烷氧基亚胺，亚烷基，亚烷基二氧，烷基亚磺酰基，烷基亚磺酰基，芳基，芳氧基，亚烷基或芳亚烷基。
• Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses
  申请人：Sankyo Company Limited

  公开号：EP1243589A1

  公开（公告）日：2002-09-25

  Compounds of formula (I): [wherein: A is a pyrrole ring; R1 is an optionally substituted phenyl or naphthyl group; R2 is an optionally substituted pyridyl or pyrimidinyl group; R3 represents a group of the formula -X-R4, wherein X is a single bond or an alkenylene group, and R4 is an optionally substituted nitrogen-containing heterocyclyl group; selected from the group consisting of 8-azabicyclo[3.2.1]octenyl, 9-azabicyclo[3.3.1]nonenyl and quinuclidinenyl groups, PROVIDED THAT said substituents R1 and R3 are bonded to the two atoms of said pyrrole ring which are adjacent to the atom of the pyrrole ring to which said substituent R2 is bonded] have excellent inhibitory activity against the production of inflammatory cytokines.

  化合物的结构式（I）：[其中：A为吡咯环；R1为可选取代的苯或萘基团；R2为可选取代的吡啶或嘧啶基团；R3代表具有下述结构的基团-X-R4，其中X为单键或烯基链，R4为可选取代的含氮杂环基团；所选取自8-氮杂双环[3.2.1]辛烯基、9-氮杂双环[3.3.1]壬烯基和喹啉环基团，前提是所述取代基R1和R3连接到所述吡咯环的两个相邻原子，这两个原子与所述取代基R2连接的吡咯环原子相邻]具有出色的抑制炎症细胞因子产生活性。
• METHOD FOR PREPARING CHEMICAL COMPOUNDS OF INTEREST BY NUCLEOPHILIC AROMATIC SUBSTITUTION OF AROMATIC CARBOXYLIC ACID DERIVATIVES SUPPORTING AT LEAST ONE ELECTRO-ATTRACTIVE GROUP
  申请人：Mortier Jacques

  公开号：US20120316337A1

  公开（公告）日：2012-12-13

  Method for preparing carboxylic acid derivatives by aromatic nucleophilic substitution, in which a carboxylic acid derivative having a single carboxyl functional group, or one of the salts thereof, the carboxylic acid derivative having, in the ortho position of the carboxyl functional group, a leaving group, which is preferably an atom of fluorine or of chlorine or an alkoxy group, chiral or not, preferably a methoxy group, the carboxylic acid derivative not being substituted by an electro attractive group other than the leaving group if any; is reacted with a reactant MNu, where M is a metal and Nu is a nucleophile, chiral or not, the aromatic nucleophilic substitution reaction being carried out without a catalyst and without a step of protecting/deprotecting the acid functional group of the starting compound.

  通过芳香亲核取代法制备羧酸衍生物的方法，其中羧酸衍生物具有单个羧基官能团，或其盐之一，该羧酸衍生物在羧基官能团的邻位具有一个离去基团，该离去基团优选为氟原子或氯原子或烷氧基，手性或非手性，优选为甲氧基，如果有的话，该羧酸衍生物未被电子亲合基团取代；与反应物MNu发生反应，其中M为金属，Nu为亲核试剂，手性或非手性，芳香亲核取代反应在无催化剂和无保护/去保护起始化合物的酸官能团的步骤的情况下进行。
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：Universal Display Corporation

  公开号：US20190375767A1

  公开（公告）日：2019-12-12

  A compound of Formula (L A ) n -M-(L C ) m , wherein the ligand L A is of Formula I, and the ligand L C is selected from Formula I that is different than ligand L A , a monoanionic bidentate ligand, or a monoanionic monodentate ligand. M is a metal; and n is 1 or 2, and m is 0, 1 or 2. Ring A is a 5-membered or 6-membered heteroaryl ring, which is bonded to Ring B; Z is selected from O or S; Z 1 is selected from a carbene C or N; and Z 2 is selected from C or N. Moreover, two adjacent ring carbons of Ring B will form a group of formula D, wherein * represents the point of attachment to the two adjacent ring carbons, Formula D, wherein X is selected from NR N , O, S, or Se; and R N is selected from the group consisting of hydrogen, deuterium, alkyl, cycloalkyl, heteroalkyl, aryl, heteroaryl, and combinations thereof; and Y 1 , Y 2 , Y 3 , and Y 4 are independently CR Y1 , CR Y2 , CR Y3 , and CR Y4 , respectively, or N, and Ring D has no more than two nitrogen ring atoms. An OLED that includes a compound of the Formula I above in an organic layer is also described.

  一个化合物的公式为（LA）n-M-(LC)m，其中配体LA是公式I的，配体LC是从与配体LA不同的公式I中选择的，是一个单阴离子双齿配体，或者是一个单阴离子单齿配体。M是一种金属；n为1或2，m为0、1或2。环A是一个5-或6-成员的杂环芳基环，与环B相连；Z选择自O或S；Z1选择自卡宾C或N；Z2选择自C或N。此外，环B的两个相邻环碳将形成一个公式D的基团，其中*表示与两个相邻环碳的连接点，公式D，其中X选择自NRN、O、S或Se；RN选择自氢、氘、烷基、环烷基、杂环烷基、芳基、杂芳基及其组合；Y1、Y2、Y3和Y4独立地是CRY1、CRY2、CRY3和CRY4，或N，环D中没有超过两个氮环原子。还描述了一种包含上述公式I的化合物的有机发光二极管。
• NMR and Calculational Studies on the Regioselective Lithiation of 1-Methoxynaphthalene
  作者：Jürgen Betz、Walter Bauer

  DOI：10.1021/ja010456w

  日期：2002.7.1

  1-Methoxynaphthalene (1) undergoes regioselective lithiation in position 2 (n-BuLi/TMEDA) or in position 8 (t-BuLi), respectively. The detected formation of a n-BuLi/1 complex (1:1 n-BuLi/1 mixture) appears to have only minor influence on the regioselectivity (both products are obtained). The exchange of hydrogen atom H2 by deuterium results in a remarkably reduced reaction rate for the lithiation

  1-甲氧基萘 (1) 分别在 2 位 (n-BuLi/TMEDA) 或 8 位 (t-BuLi) 进行区域选择性锂化。检测到的 n-BuLi/1 复合物（1:1 n-BuLi/1 混合物）的形成似乎对区域选择性的影响很小（两种产物都得到）。氢原子 H2 被氘交换导致在 THF-d(8) 中与 n-BuLi 锂化的反应速率显着降低。这种同位素效应和热力学上不太有利的 2-锂硫化合物的形成表明了一种动力学控制机制。8-氘代-1-甲氧基萘与 t-BuLi 的反应缺乏同位素效应以及热力学优选的 8-锂化产物的形成表明热力学控制机制。