[4-((tert-butyldimethylsilanyl)oxy)-3-oxobutyl]carbamic acid tert-butyl ester | 878807-32-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [4-((tert-butyldimethylsilanyl)oxy)-3-oxobutyl]carbamic acid tert-butyl ester
• 英文别名: tert-butyl 4-(tert-butyldimethylsilyloxy)-3-oxobutylcarbamate；[4-(Tert-butyldimethylsilanyloxy)-3-oxobutyl]carbamic acid tert-butyl ester；tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]carbamate
• CAS: 878807-32-0
• 化学式: C₁₅H₃₁NO₄Si
• 分子量: 317.501
• InChiKey: PPZUZWSSIQZIGY-UHFFFAOYSA-N

物化性质

• 沸点：
  370.9±27.0 °C(Predicted)
• 密度：
  0.968±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.49
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [4-((tert-butyldimethylsilanyl)oxy)-3-oxobutyl]carbamic acid tert-butyl ester 、 (R)-6,8-difluorochroman-3-ylamine hydrochloride 、 potassium thioacyanate 在 溶剂黄146 、 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 9.0h， 生成 依他米司特盐酸盐
  参考文献：
  名称：

  Imidazole deriviatives and their use as peripherally-selective inhibitors of dopamine-beta-hydroxylase

  摘要：

  公开号：

  EP1408038B1
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 4-二甲氨基吡啶 、 戴斯-马丁氧化剂 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 21.0h， 生成 [4-((tert-butyldimethylsilanyl)oxy)-3-oxobutyl]carbamic acid tert-butyl ester
  参考文献：
  名称：

  Process Research for Multikilogram Production of Etamicastat: A Novel Dopamine β-Hydroxylase Inhibitor

  摘要：

  In order to develop a manufacturing route to etamicastat, three synthetic approaches to the pivotal chiral 3-aminochroman intermediate have been studied as well as four methods for the construction of the 2-aminoethyl imidazolethione fragment. The evolution of the synthetic strategy based on the early discovery route was described. By focusing on the use of readily available starting materials it was possible to avoid chromatography steps and expensive reagents, bringing about significant improvements in cost and throughput. The best route involves construction of the chiral centre by asymmetric hydrogenation.

  DOI：

  10.1021/op300012d

文献信息

• 1, 3-Dihydroimidazoles for Treating Cardiovascular Disorders
  申请人：Soares Da Silva Patricio Manuel Vieira Araújo

  公开号：US20100286219A1

  公开（公告）日：2010-11-11

  A method comprising utilizing a compound of formula I: where R 1 , R 2 and R 3 are the same or different and signify hydrogens, halogens, alkyl, alkylaryl, alkyloxy, hydroxy, nitro, amino, alkylcarbonylamino, alkylamino or dialkylamino group; R 4 signifies hydrogen, alkyl or alkylaryl group; X signifies CH 2 , oxygen atom or sulphur atom; n is 1, 2 or 3, with the proviso that when n is 1, X is not CH 2 ; and the individual (R)- and (S)-enantiomers or mixtures of enantiomers and pharmaceutically acceptable salts thereof; wherein the term alkyl means hydrocarbon chains, straight or branched, containing from one to six carbon atoms, optionally substituted by aryl, alkoxy, halogen, alkoxycarbonyl or hydroxycarbonyl groups; the term aryl means a phenyl or naphthyl group, optionally substituted by alkyloxy, halogen or nitro group; the term halogen means fluorine, chlorine, bromine or iodine, in the manufacture of a medicament for the treatment of one or more of the following indications: congestive heart failure, angina, arrhythmias, circulatory disorders, Raynaud's Phenomenon, migraine, and anxiety disorders.

  一种方法包括利用式I的化合物：其中R1，R2和R3相同或不同，并表示氢，卤素，烷基，烷基芳基，烷氧基，羟基，硝基，氨基，烷基羰基氨基，烷基氨基或二烷基氨基基团；R4表示氢，烷基或烷基芳基基团；X表示CH2，氧原子或硫原子；n为1，2或3，但当n为1时，X不是CH2；以及(R)-和(S)-对映体或对映体的混合物及其药学上可接受的盐；其中术语烷基表示含有一至六个碳原子的碳氢链，直链或支链，可选地被芳基，烷氧基，卤素，烷氧羰基或羟基羰基基团取代；术语芳基表示苯基或萘基，可选地被烷氧基，卤素或硝基取代；术语卤素表示氟，氯，溴或碘，在制备用于治疗以下一种或多种适应症的药物：充血性心力衰竭，心绞痛，心律失常，循环障碍，雷诺现象，偏头痛和焦虑症。
• Peripherally-selective inhibitors of dopamine-beta-hydroxylase and method of their preparation
  申请人：Portela & C.A., S.A.

  公开号：US20040142996A1

  公开（公告）日：2004-07-22

  Compounds of formula I: t,0010 where R 1 , R 2 and R 3 are the same or different and signify hydrogens, halogens, alkyl, alkylaryl, alkyloxy, hydroxy, nitro, amino, alkylcarbonylamino, alkylamino or dialkylamino group; R 4 signifies hydrogen, alkyl or alkylaryl group; X is CH 2 , O or S, and n is 1, 2 or 3, with the proviso that if X is CH 2 , n is not 1, and a method for their preparation. The compounds have potentially valuable pharmaceutical properties for the treatment of cardiovascular disorders such as hypertension and chronic heart failure.

  式I的化合物：其中R1、R2和R3相同或不同，表示氢、卤素、烷基、烷基芳基、烷氧基、羟基、硝基、氨基、烷基羰基氨基、烷基氨基或二烷基氨基基团；R4表示氢、烷基或烷基芳基基团；X为CH2、O或S，n为1、2或3，但如果X为CH2，则n不为1；以及它们的制备方法。这些化合物具有潜在的有价值的药理特性，可用于治疗心血管疾病，如高血压和慢性心力衰竭。
• Peripherally-selective inhibitors of dopamine-β-hydroxylase and method of their preparation
  申请人：Portela & C.A., S.A.

  公开号：US07125904B2

  公开（公告）日：2006-10-24

  Compounds of formula I: where R1, R2 and R3 are the same or different and signify hydrogens, halogens, alkyl, alkylaryl, alkyloxy, hydroxy, nitro, amino, alkylcarbonylamino, alkylamino or dialkylamino group; R4 signifies hydrogen, alkyl or alkylaryl group; X is CH2, O or S, and n is 1, 2 or 3, with the proviso that if X is CH2, n is not 1, and a method for their preparation. The compounds have potentially valuable pharmaceutical properties for the treatment of cardiovascular disorders such as hypertension and chronic heart failure.

  化合物的化学式为I： 其中R1、R2和R3相同或不同，表示氢、卤素、烷基、烷基芳基、烷氧基、羟基、硝基、氨基、烷基羰基氨基、烷基氨基或二烷基氨基基团；R4表示氢、烷基或烷基芳基团；X为CH2、O或S，n为1、2或3，但若X为CH2，则n不为1。同时，本方法还提供了制备这些化合物的方法。这些化合物具有潜在的药物学特性，可用于治疗心血管疾病，如高血压和慢性心力衰竭。
• Peripherally-Selective Inhibitors of Dopamine-ß-Hydroxylase And Method Of Their Preparation
  申请人：Learmonth Alexander David

  公开号：US20070015730A1

  公开（公告）日：2007-01-18

  Compounds of formula I: where R 1 , R 2 and R 3 are the same or different and signify hydrogens, halogens, alkyl, alkylaryl, alkyloxy, hydroxy, nitro, amino, alkylcarbonylamino, alkylamino or dialkylamino group; R 4 signifies hydrogen, alkyl or alkylaryl group; X is CH 2 , O or S, and n is 1, 2 or 3, with the proviso that if X is CH 2 , n is not 1, and a method for their preparation. The compounds have potentially valuable pharmaceutical properties for the treatment of cardiovascular disorders such as hypertension and chronic heart failure.

  化合物的化学式为I，其中R1，R2和R3相同或不同，表示氢、卤素、烷基、烷基芳基、烷氧基、羟基、硝基、氨基、烷基羰基氨基、烷基氨基或二烷基氨基基团；R4表示氢、烷基或烷基芳基基团；X为CH2、O或S，n为1、2或3，但如果X为CH2，则n不为1，以及它们的制备方法。这些化合物具有治疗心血管疾病（如高血压和慢性心力衰竭）的潜在有价值的药物特性。
• WO2008/94054
  申请人：——

  公开号：——

  公开（公告）日：——