1-甲基-1,2-二氢异喹啉 | 134021-13-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-甲基-1,2-二氢异喹啉
• 英文名称: 1-methyl-1,2-dihydroisoquinoline
• 英文别名: Methyldihydroisochinolin
• CAS: 134021-13-9
• 化学式: C₁₀H₁₁N
• mdl: MFCD19223304
• 分子量: 145.204
• InChiKey: NSKGEOZHYORJDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-甲基-1,2-二氢异喹啉 在 air 作用下， 以 苯 为溶剂， 反应 48.0h， 以49%的产率得到1-甲基异喹啉-4-醇
  参考文献：
  名称：

  Uno, Hidemitsu; Okada, Shin-ichiro; Suzuki, Hitomi, Journal of Heterocyclic Chemistry, 1991, vol. 28, # 2, p. 341 - 346

  摘要：

  DOI：
• 作为产物：
  描述：

  异喹啉 、 甲基锂 在 三氟化硼乙醚 作用下， 以 乙醚 为溶剂， 反应 1.0h， 生成 1-甲基-1,2-二氢异喹啉
  参考文献：
  名称：

  Uno, Hidemitsu; Okada, Shin-ichiro; Suzuki, Hitomi, Journal of Heterocyclic Chemistry, 1991, vol. 28, # 2, p. 341 - 346

  摘要：

  DOI：

文献信息

• MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS
  申请人：Simmen Kenneth Alan

  公开号：US20100120855A1

  公开（公告）日：2010-05-13

  Inhibitors of HCV replication of formula (I), the N-oxides, salts, and stereochemically isomeric forms thereof, wherein each dashed line (represented by represents an optional double bond; X is N, CH and where X bears a double bond it is C; R 1 is aryl or a saturated, a partially unsaturated or completely unsaturated 5 or 6 membered monocyclic or 9 to 12 membered bicyclic heterocyclic ring system wherein said ring system contains one nitrogen, and optionally one to three additional heteroatoms selected from the group consisting of oxygen, sulfur and nitrogen, and wherein the remaining ring members are carbon atoms; wherein said ring system may be optionally substituted on any carbon or nitrogen ring atom with one, two, three, or four substituents; L is a direct bond, —O—, —O—C 1-4 alkanediyl-, —O—C(═O)—, —O—C(═O)—NR 4a — or —O—C(═O)—NR 4a C 1-4 alkanediyl-; R 2 is hydrogen, —OR 5 , —C(O)OR 5 , —C(═O)R 6 , —C(═O)NR 4a R 4b , —C(═O)NHR 4c , —NR 4a R 4b , —NHR 4c , —NR 4a SO p NR 4a R 4b , —NR 4a SO p R 7 , or B(OR 5 ) 2 ; R 3 is hydrogen, and where X is C or CH, R 3 may also be C 1-6 alkyl; n is 3, 4, 5, or 6; p is 1 or 2; aryl is phenyl, naphthyl, indanyl, or 1,2,3,4-tetrahydronaphthyl, each of which may be optionally substituted with one, two or three substituents; Het is a 5 or 6 membered saturated, partially unsaturated or completely unsaturated heterocyclic ring containing 1 to 4 heteroatoms each independently selected from nitrogen, oxygen and sulfur, being optionally condensed with a benzene ring, and wherein the group Het as a whole may be optionally substituted with one, two or three substituents; pharmaceutical compositions containing compounds (I) and processes for preparing compounds (I). Bioavailable combinations of the inhibitors of HCV of formula (I) with ritonavir are also provided.

  公式（I）的HCV复制抑制剂，其中N-氧化物，盐和立体化学异构体，其中每个虚线（由表示，表示可选的双键; X是N，CH，其中X带有双键，则为C; R1是芳基或饱和，部分不饱和或完全不饱和的5个或6个成员的单环或9至12个成员的双环杂环环系，其中所述环系含有一个氮，并且可选地含有一个至三个选自氧，硫和氮的群组的其他杂原子，其中剩余的环成员是碳原子;其中所述环系可以在任何碳或氮环原子上选择一个，两个，三个或四个取代基; L是直接键，-O-，-O-C1-4烷二基，-O-C（=O）-，-O-C（=O）-NR4a-或-O-C（=O）-NR4aC1-4烷二基; R2是氢，-OR5，-C（O）OR5，-C（=O）R6，-C（=O）NR4aR4b，-C（=O）NHR4c，-NR4aR4b，-NHR4c，-NR4aSOpNR4aR4b，-NR4aSOpR7或B（OR5）2; R3是氢，其中X是C或CH时，R3也可以是C1-6烷基; n为3、4、5或6; p为1或2;芳基是苯基，萘基，茚基或1,2,3,4-四氢萘基，每个都可以选择性地用一个，两个或三个取代基取代; Het是一个5个或6个成员的饱和，部分不饱和或完全不饱和的杂环环，其中每个独立选择自氮，氧和硫的1至4个杂原子，可选择地与苯环缩合，并且整个Het基团可以选择性地用一个，两个或三个取代基取代;含有化合物（I）的制药组合物和制备化合物（I）的过程也提供。还提供了公式（I）的HCV抑制剂与利托那韦的生物利用度组合。
• [EN] TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE<br/>[FR] ACIDES TETRONIQUES ET TETRAMIQUES UTILISES EN TANT QU'INHIBITEURS DE LA BETA-SECRETASE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005058857A1

  公开（公告）日：2005-06-30

  This invention relates to new tetronic and tetramic acid derivatives with beta-secretase inhibitory activity of formula (I), wherein RI, R2, R3, R4, R5, R5', R6 and R6' areas defined hereinabove, to processes for their preparation, compositions containing said tetronic and tetramic acid derivatives and their use in the treatment and prevention of diseases modulated by an inhibitor of ß-secretase, such as Alzheimer's disease.