2,2,6-trimethyl-2,3-dihydro-benzofuran | 19956-97-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: 2,2,6-trimethyl-2,3-dihydro-benzofuran
• 英文别名: 2,3-dimydro-2,2,6-trimethylbenzofuran；Benzofuran, 2,3-dihydro-2,2,6-trimethyl-；2,2,6-trimethyl-3H-1-benzofuran
• CAS: 19956-97-9
• 化学式: C₁₁H₁₄O
• mdl: MFCD00221058
• 分子量: 162.232
• InChiKey: FIOKUGYMOSTLAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1,1-二甲基-2-(4-甲苯基)-乙醇 在 碘苯二乙酸 、 palladium diacetate 、 lithium carbonate 作用下， 以 六氟苯 为溶剂， 反应 36.0h， 以85%的产率得到2,2,6-trimethyl-2,3-dihydro-benzofuran
  参考文献：
  名称：

  Pd(II)-Catalyzed Hydroxyl-Directed C−H Activation/C−O Cyclization: Expedient Construction of Dihydrobenzofurans

  摘要：

  A Pd(II)-catalyzed C-H activation/C-O cyclization reaction directed by a proximate hydroxyl group has been developed. This reaction provides a new method for constructing dihydrobenzofurans, including spirocyclic analogues, a process that is potentially applicable to natural product synthesis.

  DOI：

  10.1021/ja105366u

文献信息

• [EN] HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS<br/>[FR] AMIDES DE CHROMÈNE HÉTÉROCYCLIQUE-PIPÉRIDINE SPIROCYCLIQUE UTILES COMME MODULATEURS DES CANAUX IONIQUES
  申请人：VERTEX PHARMA

  公开号：WO2011140425A1

  公开（公告）日：2011-11-10

  The invention relates to heterocyclic chromene-spirocyclic piperidine amides useful as inhibitors of ion channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及杂环色烯-螺环哌啶酰胺，用作离子通道的抑制剂。本发明还提供了包含本发明化合物的药用可接受组合物，以及使用这些组合物治疗各种疾病的方法。
• [EN] BENZOXAZINES AS MODULATORS OF ION CHANNELS<br/>[FR] BENZOXAZINES COMME MODULATEURS DES CANAUX IONIQUES
  申请人：VERTEX PHARMA

  公开号：WO2013067248A1

  公开（公告）日：2013-05-10

  The invention relates to benzoxazines useful as inhibitors of ion channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及可用作离子通道抑制剂的苯并噁嗪。本发明还提供了包含本发明化合物的药用可接受组合物，以及使用这些组合物治疗各种疾病的方法。
• [EN] CHROMANE-SUBSTITUED TETRACYCLIC COMPOUNDS AND USES THEREOF FOR TREATMENT OF VIRAL DISEASES<br/>[FR] COMPOSÉS TÉTRACYCLIQUES SUBSTITUÉS PAR CHROMANE ET LEURS UTILISATIONS DANS LE TRAITEMENT DE MALADIES VIRALES
  申请人：MERCK SHARP & DOHME

  公开号：WO2018032467A1

  公开（公告）日：2018-02-22

  Disclosed are novel chromane-substituted tetracyclic compounds of Formula (I), and pharmaceutically acceptable salts thereof, wherein A, A', R2 R3, R4 and R5 are as defined in the description. Also disclosed are compositions comprising a chromane-substituted tetracyclic compound, and methods of using the chromane-substituted tetracyclic compounds for treating or preventing HCV infection in a patient.

  揭示了一种新的Formula (I)的含有色甘醇取代基的四环化合物，以及其药用盐，其中A、A'、R2、R3、R4和R5如描述中所定义。还揭示了包含色甘醇取代基四环化合物的组合物，以及使用这些色甘醇取代基四环化合物来治疗或预防患者HCV感染的方法。
• Resorcine Derivatives and Their Use as Pesticides
  申请人：Puhl Michael

  公开号：US20090209598A1

  公开（公告）日：2009-08-20

  This invention relates to resorcine derivatives of formula (I) wherein R 1 is phenyl or a 5- to 6-membered heteroaromatic ring which may contain 1 to 3 heteroatoms selected from oxygen, nitrogen and sulfur, wherein phenyl or the heteroaromatic ring may be fused to a ring selected from phenyl and a 5- to 6-membered saturated, partially unsaturated or aromatic heterocyclic ring which may contain 1 to 3 heteroatoms selected from oxygen, nitrogen and sulfur, wherein phenyl or the 5- to 6-membered heteroaromatic ring or the respective fused ring systems may be unsubstituted or substituted by any combination of 1 to 6 optionally substituted groups R 3 , wherein R 3 is halogen, cyano, nitro, hydroxy, mercapto, amino, alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, haloalkyl, haloalkenyl, haloalkynyl, halocycloalkyl, halocycloalkenyl, alkoxy, alkenyloxy, alkynyloxy, haloalkoxy, haloalkenyloxy, haloalkynyloxy, alkylthio, alkenylthio, alkynylthio, haloalkylthio, haloalkenylthio, haloalkynylthio, alkylamino, alkenylamino, alkynylamino, dialkylamino, dialkenylamino, dialkynylamino, alkyl-alkenylamino, alkyl-alkynylamino, alkenyl-alkynylamino, trialkylsilyl, or phenyl or a 5- to 7-membered saturated or partially unsaturated heterocyclic ring which may contain 1 to 3 heteroatoms selected from oxygen, sulfur and nitrogen or a 5- to 6-membered heteraromatic ring system which may contain 1 to 4 heteroatoms selected from oxygen, nitrogen and sulfur, which phenyl and which heteroaromatic ring may be bonded via an oxygen or a sulfur atom, or —C(=G)Ra, —C(=G)ORa, —C(=G)NRa2, —C(=G)[N═SRa2], —C(═NORa)Ra, —C(═NORa)NRa2, —C(═NNRa2)Ra, —OC(=G)-OC(=G)ORa, N═SRa2, —NRaC(=G)Ra, —N[C(=G)Ra]2, —NRaC(=G)ORa, —C(=G)NRa—NRa2, —C(=G)NRa—NRa[C(=G)Ra], —NRa—C(=G)NRa2, —NRa—NRaC(=G)Ra, —NRa—N[C(=G)Ra]2, —N[(C=G)Ra]—NRa2, —NRa—NRa[(C=G)GRa], —NRa[(C=G)NRa2, —NRa[C═NRa]Ra, —NRa(C═NRa)NRa2, —O—NRa2, —O—NRa(C=G)Ra, —SO2NRa2, —NRaSO2Ra, —S(═O)Ra, —S(═O)2Ra, —SO2ORa, or —OSO2Ra, wherein G is oxygen or sulfur and Ra is as defined in the description, R 2 is hydrogen, halogen, cyano, alkyl, haloalkyl, alkenyl, haloalkenyl, alkynyl, haloalkynyl, alkoxy, or haloalkoxy, x is 2, 3, 4, 5, 6, or 7, or the diastereomers, enantiomers, salts or N-oxides thereof, with the proviso that R 1 is not 5-chloro-2,2,-dimethyl-2,3-dihydrobenzo[b]furan-7-yl when R 2 is hydrogen and x is 3 or 4, processes and intermediates for the preparation of compounds I, use of compounds I for combating insects, acarids, or nematodes, and a method for treating, controlling, preventing or protecting animals against infestation or infection by parasites using compounds I.

  本发明涉及公式（I）的间苯二酚衍生物，其中R1是苯基或5-至6-成员杂芳环，可以包含1至3个从氧、氮和硫选择的杂原子，其中苯基或杂芳环可以与从苯基和5-至6-成员饱和、部分不饱和或芳香杂环环中选择的环融合，该环可以包含1至3个从氧、氮和硫选择的杂原子，其中苯基或5-至6-成员杂芳环或相应的融合环系统可以是未取代或由1至6个可选取代基团R3的任意组合取代，其中R3是卤素、氰基、硝基、羟基、巯基、氨基、烷基、烯基、炔基、环烷基、环烯基、卤代烷基、卤代烯基、卤代炔基、卤代环烷基、卤代环烯基、烷氧基、烯氧基、炔氧基、卤代烷氧基、卤代烯氧基、卤代炔氧基、烷硫基、烯硫基、炔硫基、卤代烷硫基、卤代烯硫基、卤代炔硫基、烷基氨基、烯基氨基、炔基氨基、二烷基氨基、二烯基氨基、二炔基氨基、烷基-烯基氨基、烷基-炔基氨基、烯基-炔基氨基、三烷基硅基、苯基或5-至7-成员饱和或部分不饱和杂环环，可以包含1至3个从氧、硫和氮选择的杂原子或可以包含1至4个从氧、氮和硫选择的杂原子的5-至6-成员杂芳环系统，其中苯基和杂芳环可以通过氧或硫原子连接，或-C（=G）Ra、-C（=G）ORa、-C（=G）NRa2、-C（=G）[N═SRa2]、-C（═NORa）Ra、-C（═NORa）NRa2、-C（═NNRa2）Ra、-OC（=G）-OC（=G）ORa、N═SRa2、-NRaC（=G）Ra、-N[C（=G）Ra]2、-NRaC（=G）ORa、-C（=G）NRa-NRa2、-C（=G）NRa-NRa[C（=G）Ra]、-NRa-C（=G）NRa2、-NRa-NRaC（=G）Ra、-NRa-N[C（=G）Ra]2、-N[(C=G）Ra]-NRa2、-NRa-NRa[(C=G）GRa]、-NRa[(C=G）NRa2、-NRa[C═NRa]Ra、-NRa（C═NRa）NRa2、-O-NRa2、-O-NRa（C=G）Ra、-SO2NRa2、-NRaSO2Ra、-S（═O）Ra、-S（═O）2Ra、-SO2ORa或-OSO2Ra，其中G是氧或硫，Ra如描述中所定义，R2是氢、卤素、氰基、烷基、卤代烷基、烯基、卤代烯基、炔基、卤代炔基、烷氧基或卤代烷氧基，x是2、3、4、5、6或7，或其对映异构体、对映体、盐或N-氧化物，但在R2为氢且x为3或4时，R1不是5-氯-2,2-二甲基-2,3-二氢苯并[b]呋喃-7-基，制备化合物I的过程和中间体，使用化合物I对抗昆虫、螨虫或线虫，以及使用化合物I治疗、控制、预防或保护动物免受寄生虫的侵害或感染的方法。
• HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS
  申请人：Hadida-Ruah Sara Sabina

  公开号：US20110306607A1

  公开（公告）日：2011-12-15

  The invention relates to heterocyclic chromene-spirocyclic piperidine amides useful as inhibitors of ion channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及杂环色烯-螺环哌啶酰胺类化合物，其可用作离子通道抑制剂。本发明还提供了包含本发明化合物的药学上可接受的组合物，并提供了使用这些组合物治疗各种疾病的方法。

表征谱图