1-异丙基-1,3-二氢-2-苯并呋喃 | 117436-88-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异香豆素
• 中文名称: 1-异丙基-1,3-二氢-2-苯并呋喃
• 英文名称: isopropyl-2 (2H) isobenzofuranne
• 英文别名: 1-isopropyl-1,3-dihydro-2-benzofuran；1-Isopropyl-1,3-dihydroisobenzofuran；1-propan-2-yl-1,3-dihydro-2-benzofuran
• CAS: 117436-88-1
• 化学式: C₁₁H₁₄O
• 分子量: 162.232
• InChiKey: PTMMUIIYWDXDHI-UHFFFAOYSA-N

物化性质

• 沸点：
  239.3±9.0 °C(Predicted)
• 密度：
  1.003±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-异丙基-1,3-二氢-2-苯并呋喃 、 硫酸二甲酯 在 正丁基锂 、 N,N-二甲基乙醇胺 作用下， 以 正己烷 、 四氢呋喃 为溶剂， 反应 0.5h， 生成 (1S,3S)-1-Isopropyl-3-methyl-1,3-dihydro-isobenzofuran 、 (1S,3R)-1-Isopropyl-3-methyl-1,3-dihydro-isobenzofuran
  参考文献：
  名称：

  A new method for benzylic deprotonative lithiation: synthesis of 1- and 1,3-disubstituted (aza)phthalans

  摘要：

  The n-BuLi-Me2N(CH2)(2)OLi (noted n-BuLi-LiDMAE) superbase promotes the direct and regioselective alpha-lithiation of (aza)phthalan derivatives. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(02)00685-8
• 作为产物：
  描述：

  1-[2-(羟甲基)苯基]-2-甲基-1-丙醇 以 六甲基磷酰三胺 为溶剂， 以73%的产率得到1-异丙基-1,3-二氢-2-苯并呋喃
  参考文献：
  名称：

  Reactions selectives des organonagnesiens avec les lactols et les lactones. Synthese des diols primaires-secondaires

  摘要：

  DOI：

  10.1016/s0040-4020(88)90027-0

文献信息

• C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF
  申请人：SHANGHAI DE NOVO PHARMATECH CO. LTD.

  公开号：US20170037038A1

  公开（公告）日：2017-02-09

  This invention relates to a kind of C-aryl glycoside derivatives, its pharmaceutical compositions, preparation methods, and uses thereof. The preparation method comprises: method 1: in a solvent, deprotecting the acetyl protecting groups of compound 1-f in the presence of a base; method 2: 1) compound 2-g reacts with via Mitsunobu reaction; 2) deprotecting the acetyl protecting groups of compound 2-f obtained from step 1; method 3: 1) compound 2-g reacts with via nucleophilic substitution reaction; 2) deprotecting the acetyl protecting groups of compound 3-f obtained from step 1. The pharmaceutical composition comprises a kind of C-aryl glycoside derivatives; it's pharmaceutically acceptable salts and/or prodrugs thereof and excipient thereof. This invention further relates to a kind of C-aryl glycoside derivatives, it's pharmaceutically acceptable salts or pharmaceutical compositions thereof for the use in preparation of a SGLT inhibitor. The C-aryl glycoside derivatives of this invention provides a new direction for the study of SGLT inhibitors.

  这项发明涉及一种C-芳基糖苷衍生物，其药物组合物、制备方法及其用途。制备方法包括：方法1：在溶剂中，在碱的存在下去保护化合物1-f的乙酰保护基；方法2：1）化合物2-g通过Mitsunobu反应发生反应；2）去除从步骤1得到的化合物2-f的乙酰保护基；方法3：1）化合物2-g通过亲核取代反应发生反应；2）去除从步骤1得到的化合物3-f的乙酰保护基。药物组合物包括一种C-芳基糖苷衍生物；其药学上可接受的盐和/或前药以及赋形剂。这项发明还涉及一种C-芳基糖苷衍生物，其药学上可接受的盐或其药物组合物，用于制备SGLT抑制剂。这项发明的C-芳基糖苷衍生物为SGLT抑制剂的研究提供了新的方向。
• Bis-aromatic amides and their uses as sweet flavor modifiers, tastants, and taste enhancers
  申请人：Tachdjian Catherine

  公开号：US20070003680A1

  公开（公告）日：2007-01-04

  The inventions disclosed herein relate to man-made bi-aromatic amide compounds that, when contacted with comestible food or drinks or pharmaceutical compositions at concentrations preferably on the order of about 100 ppm or lower, serve as sweet taste modifiers, sweet flavoring agents, or sweet flavor enhancers, for use in foods, beverages, and other comestible products, or orally administered medicinal products or compositions, optionally in the presence of or in mixtures with conventional flavoring agents such as known natural saccharide sweeteners and previously known artificial sweeteners.

  本发明涉及人工合成的双芳香酰胺化合物，当与食品、饮料或制药组合物接触时，其浓度最好在约100 ppm或更低的范围内，可用作甜味改良剂、甜味调味剂或甜味增强剂，用于食品、饮料和其他可食用产品，或口服药物产品或组合物，可选地与已知的天然糖类甜味剂和以前已知的人工甜味剂等传统调味剂混合使用。
• Thrombin Inhibitors
  申请人：CHOBANIAN Harry

  公开号：US20150315141A1

  公开（公告）日：2015-11-05

  Compounds of the invention, which may be useful in inhibiting thrombin and associated thrombotic occlusions, have the following structure: or a pharmaceutically acceptable salt thereof, wherein m is 0 or 1; R is a heterocycle, —(CR 8 R 9 ) 1-2 NH 2 , or —(CR 8 R 9 ) 1-2 OH, wherein R 8 and R 9 , each time in which they occur, are independently H, C 1-6 alkyl, —CH 2 F, —CHF 2 , CF 3 or —CH 2 OH; W is a) —CHR 1 R 2 , where R 1 is —C(CH 3 ) 3 , and R 2 is —(CH 2 ) 1-2 OH, b) a 5- or 6-membered unsubstituted or substituted heterocycle having 1 or 2 heteroatoms selected from N and O, wherein substituted heterocycle is substituted with R 3 , c) a 9- or 10-membered unsubstituted or substituted heterocycle having 1 or 2 heteroatoms selected from N, O and S, wherein substituted heterocycle is mono-substituted with R 3 , or disubstituted with R 3 and R 4 , or d) a 3-, 4-, or 5-membered carbocyclic ring which is unsubstituted, mono-substituted with R 3 , di-substituted with R 3 and R 4 , or tri-substituted with R 3 , R 4 and R 5 ; R 3 is —CF 3 , —COOH, —COOR 7 , —C(O)R 6 , —CH(OH)R 6 , —CH 2 R 6 , R 6 , =O, halogen, R 7 , —OH, —NH 2 , or —NHSO 2 R 7 ; and R 10 is H or C 1-6 alkyl.

  本发明的化合物可用于抑制凝血酶和相关的血栓闭塞，具有以下结构：或其药学上可接受的盐，其中m为0或1；R是杂环，-(CR8R9)1-2NH2，或-(CR8R9)1-2OH，其中每次出现时R8和R9独立且为H、C1-6烷基、-CH2F、-CHF2、CF3或-CH2OH；W是a) -CHR1R2，其中R1为-C(CH3)3，R2为-(CH2)1-2OH，b) 1个或2个异原子从N和O中选择的5-或6-成员未取代或取代的杂环，其中取代的杂环取代为R3，c) 1个或2个异原子从N、O和S中选择的9-或10-成员未取代或取代的杂环，其中取代的杂环为单取代的R3，或双取代的R3和R4，或d) 未取代的3-、4-或5-成员碳环，单取代的R3，双取代的R3和R4，或三取代的R3、R4和R5；R3为-CF3、-COOH、-COOR7、-C（O）R6、-CH（OH）R6、-CH2R6、R6、=O、卤素、R7、-OH、-NH2或-NHSO2R7；R10为H或C1-6烷基。
• SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS
  申请人：Acucela Inc.

  公开号：US20160229831A1

  公开（公告）日：2016-08-11

  The present invention relates generally to compositions and methods for treating neurodegenerative diseases and disorders, particularly ophthalmic diseases and disorders. Provided herein are substituted 3-phenylpropylamine derivative compounds and pharmaceutical compositions comprising said compounds. The subject compositions are useful for treating and preventing ophthalmic diseases and disorders, including age-related macular degeneration (AMD) and Stargardt's Disease.

  本发明涉及治疗神经退行性疾病和疾病的组合物和方法，特别是眼科疾病和疾病。本文提供了替代的3-苯基丙胺衍生物化合物和包含该化合物的药物组合物。所述组合物对于治疗和预防眼科疾病和疾病，包括年龄相关性黄斑变性（AMD）和Stargardt病具有用处。
• Preparation of Functionalized Arylmagnesium Reagents Bearing an <i>o</i>-Chloromethyl Group
  作者：Thomas Delacroix、Laurent Bérillon、Gérard Cahiez、Paul Knochel

  DOI：10.1021/jo000971x

  日期：2000.11.1