2-(正丁基)-3-氯羰基-5-硝基苯并呋喃 | 856758-03-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 2-(正丁基)-3-氯羰基-5-硝基苯并呋喃
• 英文名称: 2-(n-butyl)-3-chlorocarbonyl-5-nitrobenzofuran
• 英文别名: 2-Butyl-5-nitro-1-benzofuran-3-carbonyl chloride
• CAS: 856758-03-7
• 化学式: C₁₃H₁₂ClNO₄
• 分子量: 281.696
• InChiKey: YMRKYHNMAHJNCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  76
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(正丁基)-3-氯羰基-5-硝基苯并呋喃 、 苯甲醚 在 aluminum (III) chloride 作用下， 反应 5.25h， 生成 2-丁基-3-(4-甲氧基苯甲酰基)-5-硝基苯并呋喃 、 2-n-butyl-5-nitro-3-(2'-methoxy)-acetophenonebenzofuran
  参考文献：
  名称：

  [EN] PROCESS FOR THE PREPERATION OF N-ALKYL-2(HYDROXY-4 BENZOYL)-3 BENZOFURANS AND ITS INTERMEDIATES THEREOF
  [FR] PROCEDE D'ELABORATION DE N-ALKYLE-2(HYDROXY-4 BENZOYLE)-3 BENZOFURANES, ET INTERMEDIAIRES CORRESPONDANTS

  摘要：

  制备式为(I)的2-(n-烷基)-3-(4-羟基苯甲酰)苯并呋喃的过程，其中R代表1至5个碳原子的线性或支链烷基基团，R1代表1至3个碳原子的线性或支链烷基基团、1至3个碳原子的线性或支链烷氧基团、卤原子或硝基基团，以及中间体。

  公开号：

  WO2005066149A1
• 作为产物：
  描述：

  2-butyl-5-nitrobenzofuran-3-carboxylic acid 在 氯化亚砜 作用下， 以 氯苯 为溶剂， 反应 9.33h， 生成 2-(正丁基)-3-氯羰基-5-硝基苯并呋喃
  参考文献：
  名称：

  [EN] PROCESS FOR THE PREPERATION OF N-ALKYL-2(HYDROXY-4 BENZOYL)-3 BENZOFURANS AND ITS INTERMEDIATES THEREOF
  [FR] PROCEDE D'ELABORATION DE N-ALKYLE-2(HYDROXY-4 BENZOYLE)-3 BENZOFURANES, ET INTERMEDIAIRES CORRESPONDANTS

  摘要：

  制备式为(I)的2-(n-烷基)-3-(4-羟基苯甲酰)苯并呋喃的过程，其中R代表1至5个碳原子的线性或支链烷基基团，R1代表1至3个碳原子的线性或支链烷基基团、1至3个碳原子的线性或支链烷氧基团、卤原子或硝基基团，以及中间体。

  公开号：

  WO2005066149A1

文献信息

• Process for preparing 2-Alkyl-3-aroyl-5-nitro-benzofurans
  申请人：Lonza Ltd.

  公开号：EP2246341A1

  公开（公告）日：2010-11-03

  The present invention relates to a process for the preparation of a compound of formula wherein R1 is selected from C1-6-alkyl, C3-6-cycloalkyl and aralkyl, and wherein R2 at each occurrence independently is halogen or C1-6-alkyl, and m is an integer from 0 to 4, Q is selected from halogen, -NO2 and -NR3R4, wherein R3 and R4 are independently selected from hydrogen, C1-6-alkyl, C1-6-cycloalkyl, aryl, aralkyl, mesyl and tosyl, or wherein R3 and R4 together form a C4-6-alkylene group, Y at each occurrence is hydrogen or a hydroxy protection group W that can be hydrolytically cleaved under acidic conditions, and n is an integer from 1 to 3, and n is an integer from 1 to 3, with the proviso that n and m together are not greater than 5.

  本发明涉及一种制备化合物的过程，其化学式为其中R1选自C1-6-烷基，C3-6-环烷基和芳基，R2在每个出现的位置独立地是卤素或C1-6-烷基，m是0到4的整数，Q选自卤素，-NO2和-NR3R4，其中R3和R4独立地选自氢，C1-6-烷基，C1-6-环烷基，芳基，芳基烷基，甲烷磺基和对甲苯磺基，或者R3和R4一起形成一个C4-6-烷基烯基基团，Y在每个出现的位置是氢或可在酸性条件下水解的羟基保护基W，n是1到3的整数，且n是1到3的整数，但要求n和m的总和不大于5。
• [EN] PROCESS FOR PREPARING 2-ALKYL-3-AROYL-5-NITRO-BENZOFURANS<br/>[FR] PROCÉDÉ DE PRÉPARATION DU 2-ALKYLE-3-AROYLE-5-NITRO-BENZOFURANE
  申请人：LONZA AG

  公开号：WO2010040261A1

  公开（公告）日：2010-04-15

  The present invention relates to a process for the preparation of a compound of formula (I), wherein R1 is selected from C1-6-alkyl, C3-6-cycloalkyl and aralkyl, and wherein R2 at each occurrence independently is halogen or C1-6-alkyl, and m is an integer from 0 to 4, Q is selected from halogen, -NO2 and -NR3R4, wherein R3 and R4 are independently selected from hydrogen, C1-6-alkyl, C3-6-cycloalkyl, aryl, aralkyl, mesyl and tosyl, or wherein R3 and R4 together form a C4-6-alkylene group, Y at each occurrence is hydrogen or a hydroxy protection group W that can be hydrolytically cleaved under acidic conditions, and n is an integer from 1 to 3, and n is an integer from 1 to 3, with the proviso that n and m together are not greater than 5.

  本发明涉及一种制备式(I)化合物的方法，其中R1从C1-6-烷基，C3-6-环烷基和芳基中选择，R2在每次出现时独立地为卤素或C1-6-烷基，m为0到4的整数，Q从卤素，-NO2和-NR3R4中选择，其中R3和R4独立地选择自氢，C1-6-烷基，C3-6-环烷基，芳基，芳基烷基，甲苯磺酰基和对甲苯磺酰基，或者R3和R4一起形成一个C4-6-烷基烯基，Y在每次出现时是氢或可在酸性条件下水解的羟基保护基W，n为1到3的整数，且n为1到3的整数，但须满足n和m的总和不大于5。
• PROCESS FOR PREPARING 2-ALKYL-3-AROYL-5-NITRO-BENZOFURANS
  申请人：Wellig Alain

  公开号：US20110178314A1

  公开（公告）日：2011-07-21

  The present invention relates to a process for the preparation of a compound of formula wherein R 1 is selected from C 1-6 -alkyl, C 3-6 -cycloalkyl and aralkyl, and wherein R 2 at each occurrence independently is halogen or C 1-6 -alkyl, and m is an integer from 0 to 4, Q is selected from halogen, —NO 2 and —NR 3 R 4 , wherein R 3 and R 4 are independently selected from hydrogen, C 1-6 -alkyl, C 3-6 -cycloalkyl, aryl, aralkyl, mesyl and tosyl, or wherein R 3 and R 4 together form a C 4-6 -alkylene group, Y at each occurrence is hydrogen or a hydroxy protection group W that can be hydrolytically cleaved under acidic conditions, and n is an integer from 1 to 3, and n is an integer from 1 to 3, with the proviso that n and m together are not greater than 5.

  本发明涉及一种制备符合以下结构的化合物的方法：其中R1选自C1-6-烷基、C3-6-环烷基和芳基，R2在每次出现时独立地是卤素或C1-6-烷基，m是0到4的整数，Q选自卤素、—NO2和—NR3R4，其中R3和R4独立地选自氢、C1-6-烷基、C3-6-环烷基、芳基、芳基烷基、甲磺酰基和对甲苯磺酰基，或者R3和R4一起形成一个C4-6-烷基烯基团，Y在每次出现时是氢或可在酸性条件下水解的羟基保护基W，n是1到3的整数，且n和m的总和不大于5。
• Process for the preparation of n-alkyl-2(hydroxy-4 benzoyl)-3 benzofurans and its intermediates thereof
  申请人：Shoutteeten Alain

  公开号：US20070155831A1

  公开（公告）日：2007-07-05

  Process for the preparation of a 2-(n-alkyl)-3-(4-hydroxybenzoyl)benzofuran of formula (I) in which R represents a linear or branched alkyl radical including from 1 to 5 carbon atoms and R1 represents a linear or branched alkyl radical including from 1 to 3 carbon atoms, a linear or branched alkoxy radical including from 1 to 3 carbon atoms, a halogen atom or a nitro radical, and intermediates.

  制备式为（I）的2-(n-烷基)-3-(4-羟基苯甲酰)苯并呋喃的过程，其中R表示1至5个碳原子的线性或支链烷基基团，R1表示1至3个碳原子的线性或支链烷基基团、1至3个碳原子的线性或支链烷氧基团、卤素原子或硝基基团，以及中间体。
• Process for the preparation of N-alkyl-2(hydroxy-4 benzoyl)-3 benzofurans and its intermediates thereof
  申请人：Clariant Specialty Fine Chemicals (France)

  公开号：EP2508517A1

  公开（公告）日：2012-10-10

  Process for the preparation of a 2-(n-alkyl)-3-(4-hydroxybenzoyl)benzofuran of formula (I) in which R represents a linear or branched alkyl radical including from 1 to 5 carbon atoms and R1 represents a linear or branched alkyl radical including from 1 to 3 carbon atoms, a linear or branched alkoxy radical including from 1 to 3 carbon atoms, a halogen atom or a nitro radical, and intermediates.

  式 (I) 的 2-(正烷基)-3-(4-羟基苯甲酰基)苯并呋喃的制备工艺 其中 R 代表包括 1 至 5 个碳原子的直链或支链烷基，R1 代表包括 1 至 3 个碳原子的直链或支链烷基、包括 1 至 3 个碳原子的直链或支链烷氧基、卤素原子或硝基，以及中间体。