5-(3-acetoxyphenyl)-4-(7-carboxy-1,1-dimethyl-3-oxaheptyl)-3,3-dimethyl-2,3-dihydrofuran | 594859-81-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 5-(3-acetoxyphenyl)-4-(7-carboxy-1,1-dimethyl-3-oxaheptyl)-3,3-dimethyl-2,3-dihydrofuran
• 英文别名: 5-[2-[5-(3-acetyloxyphenyl)-3,3-dimethyl-2H-furan-4-yl]-2-methylpropoxy]pentanoic acid
• CAS: 594859-81-1
• 化学式: C₂₃H₃₂O₆
• 分子量: 404.503
• InChiKey: KJMGXPKYWAGTCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(3-acetoxyphenyl)-4-(7-carboxy-1,1-dimethyl-3-oxaheptyl)-3,3-dimethyl-2,3-dihydrofuran 、 焦磷酸硫胺素 以 二氯甲烷 为溶剂， 生成 1-(3-acetoxyphenyl)-5-(7-carboxy-1,1-dimethyl-3-oxaheptyl)-4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptane
  参考文献：
  名称：

  1, 2-Dioxetane derivatives and reagents employing them

  摘要：

  Ar是一个可能带有烷基，芳香基，卤素原子，烷氧基，羧基，甲酰基，烷基酯，芳基酯，烷基酮，芳基酮或异环与之结合的芳基，X是能够标记有机化合物或生物分子的取代基，或酯，Y是氢原子，酰基或式—Si(R4R5R6)的基团（其中R4、R5和R6各自独立，是烷基或芳基），Z是烷基，芳基，氧原子，硫原子，羰基，—(CO)—O—，—O—(CO)—，—NH—，—NH—CO—，—CO—NH—，—OSi(R7R8)—（其中R7和R8各自独立，是烷基或芳基）或式—(R9R10)SiO—（其中R9和R10各自独立，是烷基或芳基），R1和R2各自是烷基或芳基，R3是一个间隔物。

  公开号：

  US20030207329A1
• 作为产物：
  描述：

  4-(7-carboxy-1,1-dimethyl-3-oxaheptyl )-5-(3-hydroxyphenyl)-3,3-dimethyl-2,3-dihydrofuran 在 乙酸酐 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 5-(3-acetoxyphenyl)-4-(7-carboxy-1,1-dimethyl-3-oxaheptyl)-3,3-dimethyl-2,3-dihydrofuran
  参考文献：
  名称：

  1, 2-Dioxetane derivatives and reagents employing them

  摘要：

  Ar是一个可能带有烷基，芳香基，卤素原子，烷氧基，羧基，甲酰基，烷基酯，芳基酯，烷基酮，芳基酮或异环与之结合的芳基，X是能够标记有机化合物或生物分子的取代基，或酯，Y是氢原子，酰基或式—Si(R4R5R6)的基团（其中R4、R5和R6各自独立，是烷基或芳基），Z是烷基，芳基，氧原子，硫原子，羰基，—(CO)—O—，—O—(CO)—，—NH—，—NH—CO—，—CO—NH—，—OSi(R7R8)—（其中R7和R8各自独立，是烷基或芳基）或式—(R9R10)SiO—（其中R9和R10各自独立，是烷基或芳基），R1和R2各自是烷基或芳基，R3是一个间隔物。

  公开号：

  US20030207329A1

文献信息

• 1, 2-dioxetane derivatives and reagents employing them
  申请人：Matsumoto Masakatsu

  公开号：US20050153365A1

  公开（公告）日：2005-07-14

  A 1,2-dioxetane derivative of the formula (I): wherein Ar is an aryl group which may have an alkyl group, an aryl group, a halogen atom, an alkoxyl group, a carboxyl group, a formyl group, an alkyl ester, an aryl ester, an alkylketone, an arylketone or a hetero ring bonded thereto, X is a substituent capable of labeling an organic compound or a biological molecule, or an ester, Y is a hydrogen atom, an acyl group or a group of the formula —Si(R 4 R 5 R 6 ) (wherein each of R 4 , R 5 and R 6 which are independent of one another, is an alkyl group or an aryl group), Z is an alkyl group, an aryl group, an oxygen atom, a sulfur atom, a carbonyl group, —(CO)—O—, —O—(CO)—, —NH—, —NH—CO—, —CO—NH—, —OSi(R 7 R 8 )— (wherein each of R 7 and R 8 which are independent of each other, is an alkyl group or aryl group) or a group of the formula —(R 9 R 10 )SiO— (wherein each of R 9 and R 10 which are independent of each other, is an alkyl group or an aryl group), each of R 1 and R 2 is an alkyl group or an aryl group, and R 3 is a spacer.

  化合物的化学式为(I)的1,2-二氧杂环丙烷衍生物，其中Ar是一个芳基基团，可以带有一个烷基，一个芳基，一个卤素原子，一个烷氧基，一个羧基，一个甲酰基，一个烷基酯，一个芳基酯，一个烷基酮，一个芳基酮或与之结合的杂环，X是一个能够标记有机化合物或生物分子的取代基或酯基，Y是氢原子，酰基或公式—Si(R4R5R6)的基团（其中R4，R5和R6各自独立地是烷基或芳基），Z是烷基，芳基，氧原子，硫原子，羰基，—(CO)—O—，—O—(CO)—，—NH—，—NH—CO—，—CO—NH—，—OSi(R7R8)—（其中R7和R8各自独立地是烷基或芳基）或公式—(R9R10)SiO—的基团（其中R9和R10各自独立地是烷基或芳基），R1和R2各自是烷基或芳基，而R3是一个间隔基团。
• 1,2-dioxetane derivatives and reagents employing them
  申请人：Tosoh Corporation

  公开号：US07115757B2

  公开（公告）日：2006-10-03

  A 1,2-dioxetane derivative of the formula (I): wherein Ar is an aryl group which may have an alkyl group, an aryl group, a halogen atom, an alkoxyl group, a carboxyl group, a formyl group, an alkyl ester, an aryl ester, an alkylketone, an arylketone or a hetero ring bonded thereto, X is a substituent capable of labeling an organic compound or a biological molecule, or an ester, Y is a hydrogen atom, an acyl group or a group of the formula —Si(R4R5R6) (wherein each of R4, R5 and R6 which are independent of one another, is an alkyl group or an aryl group), Z is an alkyl group, an aryl group, an oxygen atom, a sulfur atom, a carbonyl group, —(CO)—O—, —O—(CO)—, —NH—, —NH—CO—, —CO—NH—, —OSi(R7R8)— (wherein each of R7 and R8 which are independent of each other, is an alkyl group or aryl group) or a group of the formula —(R9R10)SiO— (wherein each of R9 and R10 which are independent of each other, is an alkyl group or an aryl group), each of R1 and R2 is an alkyl group or an aryl group, and R3 is a spacer.

  公式（I）的1,2-二氧杂环戊烷衍生物，其中Ar是一个苯基团，可能具有一个烷基团，一个苯基团，一个卤素原子，一个烷氧基团，一个羧基团，一个甲酰基团，一个烷基酯，一个苯基酯，一个烷基酮，一个苯基酮或与之相连的杂环，X是一个能够标记有机化合物或生物分子的取代基或酯基，Y是氢原子，酰基或式—Si（R4R5R6）（其中R4，R5和R6各自独立地是烷基或苯基）的基团，Z是烷基，苯基，氧原子，硫原子，羰基，—（CO）—O—，—O—（CO）—，—NH—，—NH—CO—，—CO—NH—，—OSi（R7R8）—（其中R7和R8各自独立地是烷基或苯基）或式—（R9R10）SiO—（其中R9和R10各自独立地是烷基或苯基）的基团，R1和R2各自是烷基或苯基，R3是一个间隔基团。
• 1,2-Dioxetane derivatives and reagents employing them
  申请人：Matsumoto Masakatsu

  公开号：US06844453B2

  公开（公告）日：2005-01-18

  A 1,2-dioxetane derivative of the formula (I): wherein Ar is an aryl group which may have an alkyl group, an aryl group, a halogen atom, an alkoxyl group, a carboxyl group, a formyl group, an alkyl ester, an aryl ester, an alkylketone, an arylketone or a hetero ring bonded thereto, X is a substituent capable of labeling an organic compound or a biological molecule, or an ester, Y is a hydrogen atom, an acyl group or a group of the formula —Si(R 4 R 5 R 6 ) (wherein each of R 4 , R 5 and R 6 which are independent of one another, is an alkyl group or an aryl group), Z is an alkyl group, an aryl group, an oxygen atom, a sulfur atom, a carbonyl group, —(CO)—O—, —O—(CO)—, —NH—, —NH—CO—, —CO—NH—, —OSi(R 7 R 8 )— (wherein each of R 7 and R 8 which are independent of each other, is an alkyl group or aryl group) or a group of the formula —(R 9 R 10 )SiO— (wherein each of R 9 and R 10 which are independent of each other, is an alkyl group or an aryl group), each of R 1 and R 2 is an alkyl group or an aryl group, and R 3 is a spacer.

  化合物式（I）中的1,2-二氧杂环戊烷衍生物：其中Ar是一个芳基基团，可以具有烷基基团，芳基基团，卤素原子，烷氧基，羧基，甲酰基，烷基酯，芳基酯，烷基酮，芳基酮或与之键合的杂环，X是一个能够标记有机化合物或生物分子的取代基或酯基，Y是氢原子，酰基或式子—Si(R4R5R6)（其中R4，R5和R6各自独立地是烷基或芳基基团），Z是烷基，芳基，氧原子，硫原子，羰基，—(CO)—O—，—O—(CO)—，—NH—，—NH—CO—，—CO—NH—，—OSi(R7R8)—（其中R7和R8各自独立地是烷基或芳基基团）或式子—(R9R10)SiO—（其中R9和R10各自独立地是烷基或芳基基团），R1和R2各自是烷基或芳基基团，而R3是一个间隔基团。
• 1,2-dioxetane derivates and reagents employing them
  申请人：Tosoh Corporation

  公开号：EP1342724A1

  公开（公告）日：2003-09-10

  A 1,2-dioxetane derivative of the formula (I): wherein Ar is an aryl group which may have an alkyl group, an aryl group, a halogen atom, an alkoxyl group, a carboxyl group, a formyl group, an alkyl ester, an aryl ester, an alkylketone, an arylketone or a hetero ring bonded thereto, X is a substituent capable of labeling an organic compound or a biological molecule, or an ester, Y is a hydrogen atom, an acyl group or a group of the formula -Si(R4R5R6) (wherein each of R4, R5 and R6 which are independent of one another, is an alkyl group or an aryl group), Z is an alkyl group, an aryl group, an oxygen atom, a sulfur atom, a carbonyl group, -(CO)-O-, -O-(CO)-, -NH-, -NH-CO-, -CO-NH-, -OSi(R7R8)- (wherein each of R7 and R8 which are independent of each other, is an alkyl group or aryl group) or a group of the formula -(R9R10) SiO- (wherein each of R9 and R10 which are independent of each other, is an alkyl group or an aryl group), each of R1 and R2 is an alkyl group or an aryl group, and R3 is a spacer.

  式(I)的 1,2-二氧杂环丁烷衍生物： 其中 Ar 是芳基，可具有烷基、芳基、卤素原子、烷氧基、羧基、甲酰基、烷基酯、芳基酯、烷基酮、芳基酮或以其键合的杂环、Y 是氢原子、酰基或式 -Si(R4R5R6)的基团（其中 R4、R5 和 R6 各自独立、是烷基或芳基），Z 是烷基、芳基、氧原子、硫原子、羰基、-(CO)-O-、-O-(CO)-、-NH-、-NH-CO-、-CO-NH-、-OSi(R7R8)-（其中 R7 和 R8 各自独立、或式 -(R9R10) SiO- 的基团（其中 R9 和 R10 彼此独立，各自为烷基或芳基），R1 和 R2 各自为烷基或芳基，R3 为间隔物。
• 1,2-DIOXETANE DERIVATES AND REAGENTS EMPLOYING THEM
  申请人：TOSOH CORPORATION

  公开号：EP1342724B1

  公开（公告）日：2016-01-06