2-(tert-butyl)-2H-chromene | 95109-94-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2-(tert-butyl)-2H-chromene
• 英文别名: 2-tert-butyl-2H-chromene；2-t-butyl-2H-benzopyran
• CAS: 95109-94-7
• 化学式: C₁₃H₁₆O
• 分子量: 188.269
• InChiKey: URDXJBMWTRSNBN-UHFFFAOYSA-N

物化性质

• 沸点：
  267.1±20.0 °C(Predicted)
• 密度：
  1.007±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  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：
  0.38
• 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：

  2-(tert-butyl)-2H-chromene 、 氯仿 以53%的产率得到
  参考文献：
  名称：

  KOSTIKOV, R. R.;MOLCHANOV, A. P.;SUZDALEV, K. F.;KOBLIK, A. V., ZH. ORGAN. XIMII, 26,(1990) N, S. 355-359

  摘要：

  DOI：
• 作为产物：
  描述：

  (E)-2-(1-hydroxy-4,4-dimethylpent-2-en-1-yl)phenol 在 2,2'-联吡啶 、 iron(III) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以91%的产率得到2-(tert-butyl)-2H-chromene
  参考文献：
  名称：

  铁（III）络合物催化的烯丙基环化反应生成的2H-Chromenes

  摘要：

  据报道，一种基于铁（III）络合物催化的2-（1-羟基烯丙基）苯酚环化的简单方法可以使用多种2 H-色烯。该方法应用于天然产物替弗洛韦汀B的全合成。

  DOI：

  10.1002/adsc.201500058

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。
• 2<i>H</i>-Chromenes from Salicylaldehydes by a Catalytic Petasis Reaction
  作者：Qian Wang、M. G. Finn

  DOI：10.1021/ol006710r

  日期：2000.12.1

  The Petasis condensation of vinylic or aromatic boronic acids, aromatic aldehydes, and amines is assisted by a hydroxy group adjacent to the aldehyde moiety. The products derived from salicylaldehydes and vinylboronic acids undergo cyclization to 2H-chromene compounds with ejection of amine upon heating. A catalytic preparation of 2H-chromenes using resin-bound amine is reported, allowing the convenient

  乙烯基或芳族硼酸，芳族醛和胺的Petasis缩合反应是通过与醛部分相邻的羟基进行的。衍生自水杨醛和乙烯基硼酸的产物在加热时经过胺的喷射而环化成2H-色烯化合物。据报道，使用树脂结合的胺催化制备2H-色烯，可以方便地掺入各种组分。
• HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS
  申请人：Zhu Zhaoning

  公开号：US20100292203A1

  公开（公告）日：2010-11-18

  Disclosed are compounds of the formula I or a stereoisomer, tautomer, or pharmaceutically acceptable salt or solvate thereof, wherein W is a bond, —C(═S)—, —S(O)—, —S(O) 2 —, —C(═O)—, —O—, —C(R 6 )(R 7 )—, —N(R 5 )— or —C(═N(R 5 ))—; X is —O—, —N(R 5 )— or —C(R 6 )(R 7 )—; provided that when X is —O—, U is not —O—, —S(O)—, —S(O) 2 —, —C(═O)— or —C(═NR 5 )—; U is a bond, —S(O)—, —S(O) 2 —, —C(O)—, —O—, —P(O)(OR 15 )—, —C(═NR 5 )—, —(C(R 6 )(R 7 )) b — or —N(R 5 )—; wherein b is 1 or 2; provided that when W is —S(O)—, —S(O) 2 —, —O—, or —N(R 5 )—, U is not —S(O)—, —S(O) 2 —, —O—, or —N(R 5 )—; provided that when X is —N(R 5 )— and W is —S(O)—, —S(O) 2 —, —O—, or —N(R 5 )—, then U is not a bond; and R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and R 7 are as defined in the specification; and pharmaceutical compositions comprising the compounds of formula I. Also disclosed is the method of inhibiting aspartyl protease, and in particular, the methods of treating cardiovascular diseases, cognitive and neurodegenerative diseases, and the methods of inhibiting of Human Immunodeficiency Virus, plasmepins, cathepsin D and protozoal enzymes. Also disclosed are methods of treating cognitive or neurodegenerative diseases using the compounds of formula I in combination with a cholinesterase inhibitor or a muscarinic m 1 agonist or m 2 antagonist.

  本发明公开了式I的化合物或其立体异构体、互变异构体、药学上可接受的盐或溶剂，其中W是键，—C(═S)—、—S(O)—、—S(O)2—、—C(═O)—、—O—、—C(R6)(R7)—、—N(R5)—或—C(═N(R5))—；X是—O—、—N(R5)—或—C(R6)(R7)—；但当X为—O—时，U不是—O—、—S(O)—、—S(O)2—、—C(═O)—或—C(═NR5)—；U是键，—S(O)—、—S(O)2—、—C(O)—、—O—、—P(O)(OR15)—、—C(═NR5)—、—(C(R6)(R7))b—或—N(R5)—；其中b为1或2；但当W为—S(O)—、—S(O)2—、—O—或—N(R5)—时，U不是—S(O)—、—S(O)2—、—O—或—N(R5)—；但当X为—N(R5)—且W为—S(O)—、—S(O)2—、—O—或—N(R5)—时，U则不是键；R1、R2、R3、R4、R5、R6和R7如说明书所定义；以及包含式I化合物的药物组合物。本发明还公开了抑制天冬氨酸蛋白酶的方法，特别是治疗心血管疾病、认知和神经退行性疾病的方法，以及抑制人类免疫缺陷病毒、质膜蛋白酶、组织蛋白酶D和原虫酶的方法。本发明还公开了使用式I化合物与胆碱酯酶抑制剂或肌动蛋白M1激动剂或M2拮抗剂相结合治疗认知或神经退行性疾病的方法。
• Etude de la reactivite de lion azoture vis á vis de cations heterocycliques-IV comportement vis á vis de cations chromylium diversement substitues. Rearrangement thermique des azides covalents obtenus. Voie originale d'acces aux benz[f]heteroazepines
  作者：P.-L Desbene、J.-C Cherton

  DOI：10.1016/s0040-4020(01)91509-1

  日期：1984.1
• Regioselectivity of reduction of 2-tert-butyl-1-benzopyrilium perchlorate
  作者：K. F. Suzdalev、A. V. Koblik

  DOI：10.1007/bf00472379

  日期：1989.3