2,3-Dimethylnaphthalin-1-aldehyd | 5811-89-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,3-Dimethylnaphthalin-1-aldehyd
• 英文别名: 2,3-dimethyl-[1]naphthaldehyde；2,3-dimethylnaphthalene-1-carboxaldehyde；dimethylnaphthaldehyde；2,3-Dimethyl-1-naphthaldehyde；2,3-dimethylnaphthalene-1-carbaldehyde
• CAS: 5811-89-2
• 化学式: C₁₃H₁₂O
• 分子量: 184.238
• InChiKey: KCKAGGPNSPNAOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 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：

  2,3-Dimethylnaphthalin-1-aldehyd 在 sodium hydroxide 、 四氯化钛 、 一水合肼 作用下， 以 二氯甲烷 、 二乙二醇 为溶剂， 反应 4.0h， 生成 1,2,3,4-四甲基萘
  参考文献：
  名称：

  芳烃的Friedel-Crafts酰化反应。第十三部分。甲基取代的萘的合成。一些异常的Gattermann甲酰化反应

  摘要：

  描述了1,2-二甲基-，1,2,3-和1,2,4-三甲基-和1,2,3,4-四甲基萘的新合成。Gattermann甲酰化可在65°以上异常地进行2,3和1,4-二甲基萘，得到2,4-二甲基萘-1-甲醛。

  DOI：

  10.1039/p19720000892
• 作为产物：
  描述：

  methanesulfonic acid 4-formyl-1-naphthyl ester 、 甲基三氟硼酸钾 在 bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 silver(I) acetate 、 溶剂黄146 、 间氨基苯甲腈 、 双三氟甲烷磺酰亚胺银盐 作用下， 以79%的产率得到2,3-Dimethylnaphthalin-1-aldehyd
  参考文献：
  名称：

  通过可调节的瞬时配体策略克服 1-萘醛 C-H 甲基化的邻位和邻位选择性

  摘要：

  甲基广泛存在于生物活性分子中，位点特异性甲基化已成为其结构功能化的重要策略。为了引入这种最小的烷基手柄，我们开发了一种通过使用瞬时配体策略对 1-萘醛进行高度区域选择性的邻位和邻位-C–H 甲基化的方法。一系列甲基取代的萘骨架已以中等至优异的产率制备。机理研究表明，邻甲基化是由1-萘醛邻位较高的电子密度以及中间5,6-稠合双环钯环的形成控制的，而实验研究和理论计算推断，5元环1-萘醛邻位的铱环通过周围环和邻环之间的相互转化导致能量上有利的邻甲基化。重要的是，为了证明该方法的合成效用，我们证明该策略可以作为合成多取代萘基生物活性分子和天然产物的平台。

  DOI：

  10.1039/d1sc05899a

文献信息

• [EN] PYRIMIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRIMIDINE
  申请人：IDORSIA PHARMACEUTICALS LTD

  公开号：WO2018210992A1

  公开（公告）日：2018-11-22

  The present invention relates to pyrimidine derivatives of formula (I) wherein (R1)n, R3, R4a, R5b, and Ar1 are as described in the description and their use in the treatment of cancer by modulating an immune response comprising a reactivation of the immune system in the tumor. The invention further relates to novel benzofurane and benzothiophene derivatives of formula (III) and their use as pharmaceuticals, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), and especially to their use as modulators of the prostaglandin 2 receptors EP2 and/or EP4.

  本发明涉及式(I)的嘧啶衍生物，其中(R1)n，R3，R4a，R5b和Ar1如描述中所述，及其用于通过调节肿瘤中的免疫系统的再激活来治疗癌症的免疫应答。本发明进一步涉及新颖的苯并呋喃和苯并噻吩衍生物式(III)及其作为药物的使用，其制备方法，药用可接受的盐，以及作为药物的使用，包括含有式(I)的一个或多个化合物的药物组合物，尤其是它们作为前列腺素2受体EP2和/或EP4的调节剂的使用。
• COMPOUND, RESIN, COMPOSITION, RESIST PATTERN FORMATION METHOD, AND CIRCUIT PATTERN FORMATION METHOD
  申请人：Mitsubishi Gas Chemical Company, Inc.

  公开号：US20190010108A1

  公开（公告）日：2019-01-10

  The present invention employs a compound represented by the following formula (0): wherein R Y is a linear, branched, or cyclic alkyl group of 1 to 30 carbon atoms or an aryl group of 6 to 30 carbon atoms; R Z is an N-valent group of 1 to 60 carbon atoms or a single bond; each R T is independently an alkyl group of 1 to 30 carbon atoms optionally having a substituent, an aryl group of 6 to 40 carbon atoms optionally having a substituent, an alkenyl group of 2 to 30 carbon atoms optionally having a substituent, an alkoxy group of 1 to 30 carbon atoms optionally having a substituent, a halogen atom, a nitro group, an amino group, a cyano group, a thiol group, a hydroxy group, or a group in which a hydrogen atom of a hydroxy group is replaced with an acid dissociation group, wherein the alkyl group, the alkenyl group, and the aryl group each optionally contain an ether bond, a ketone bond, or an ester bond, wherein at least one R T is a hydroxy group or a group in which a hydrogen atom of a hydroxy group is replaced with an acid dissociation group; X is an oxygen atom, a sulfur atom, or not a crosslink; each m is independently an integer of 0 to 9, wherein at least one m is an integer of 1 to 9; N is an integer of 1 to 4, wherein when N is an integer of 2 or larger, N structural formulas within the parentheses [ ] are the same or different; and each r is independently an integer of 0 to 2.

  本发明采用以下式（0）所代表的化合物：其中RY是1到30个碳原子的直链、支链或环烷基基团，或者是6到30个碳原子的芳基基团；RZ是1到60个碳原子的N价基团或者是一个单键；每个RT独立地是1到30个碳原子的烷基基团，可选地带有取代基，是6到40个碳原子的芳基基团，可选地带有取代基，是2到30个碳原子的烯基基团，可选地带有取代基，是1到30个碳原子的烷氧基基团，可选地带有取代基，是卤素原子、硝基基团、氨基基团、氰基基团、硫醇基团、羟基或者羟基的氢原子被酸解离基团取代的基团，其中烷基基团、烯基基团和芳基基团每个可选地包含醚键、酮键或酯键，其中至少一个RT是羟基或者羟基的氢原子被酸解离基团取代的基团；X是氧原子、硫原子或者不是交联；每个m独立地是0到9的整数，其中至少一个m是1到9的整数；N是1到4的整数，当N是2或更大的整数时，括号中的N个结构式是相同或不同的；每个r独立地是0到2的整数。
• COMPOUND, RESIN, COMPOSITION AND PATTERN FORMATION METHOD
  申请人：Mitsubishi Gas Chemical Company, Inc.

  公开号：US20210070727A1

  公开（公告）日：2021-03-11

  The present invention provides a compound represented by following formula (0):

  本发明提供了以下式（0）表示的化合物。
• COMPOUND, RESIN, COMPOSITION, RESIST PATTERN FORMATION METHOD AND CIRCUIT PATTERN FORMATION METHOD
  申请人：Mitsubishi Gas Chemical Company, Inc.

  公开号：US20210070685A1

  公开（公告）日：2021-03-11

  The present invention provides a compound having a specific structure represented by the following formula (0), a resin having a constituent unit derived from the compound, various compositions containing the compound and/or the resin, and various methods using the compositions.

  本发明提供一种具有以下式（0）所代表的特定结构的化合物，具有从该化合物衍生的组分单元的树脂，含有该化合物和/或树脂的各种组合物，以及使用这些组合物的各种方法。
• COMPOUND, RESIN, COMPOSITION, RESIST PATTERN FORMATION METHOD, CIRCUIT PATTERN FORMATION METHOD AND METHOD FOR PURIFYING RESIN
  申请人：Mitsubishi Gas Chemical Company, Inc.

  公开号：US20200361843A1

  公开（公告）日：2020-11-19

  A compound represented by the following formula (1). (In the formula (1), A is a group containing a heteroatom; R 1 is a 2n-valent group having 1 to 30 carbon atoms and optionally having a substituent; R 2 to R 5 are each independently a linear, branched or cyclic alkyl group having 1 to 30 carbon atoms and optionally having a substituent, an aryl group having 6 to 30 carbon atoms and optionally having a substituent, an alkenyl group having 2 to 30 carbon atoms and optionally having a substituent, an alkynyl group having 2 to 30 carbon atoms and optionally having a substituent, an alkoxy group having 1 to 30 carbon atoms and optionally having a substituent, a halogen atom, a nitro group, an amino group, a carboxylic acid group, a crosslinkable group, a dissociation group, a thiol group or a hydroxy group, wherein the alkyl group, the aryl group, the alkenyl group and the alkoxy group each optionally contain an ether bond, a ketone bond or an ester bond and at least one R 4 and/or at least one R 5 is a hydroxy group and/or a thiol group; m 2 and m 3 are each independently an integer of 0 to 8; m 4 and m 5 are each independently an integer of 0 to 9; n is an integer of 1 to 4; and p 2 to p 5 are each independently an integer of 0 to 2.)

  以下是由以下式子（1）表示的化合物。（在式子（1）中，A是含有杂原子的基团；R1是具有1到30个碳原子并可选地具有取代基的2n价基团；R2至R5分别是线性，支链或环状烷基，具有1到30个碳原子并可选地具有取代基，具有6到30个碳原子并可选地具有取代基的芳基，具有2到30个碳原子并可选地具有取代基的烯基，具有2到30个碳原子并可选地具有取代基的炔基，具有1到30个碳原子并可选地具有取代基的烷氧基，卤素原子，硝基，氨基，羧酸基，交联基，解离基，硫醇基或羟基，其中烷基，芳基，烯基和烷氧基各自可选地包含醚键，酮键或酯键，并且至少有一个R4和/或至少有一个R5是羟基和/或硫醇基；m2和m3分别是0到8的整数；m4和m5分别是0到9的整数；n是1到4的整数；p2到p5分别是0到2的整数。）