3-methyl-7-hydroxyphthalide | 135187-61-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 3-methyl-7-hydroxyphthalide
• 英文别名: 7-hydroxy-3-methylphthalate；7-hydroxy-3-methylisobenzofuran-1(3H)-one；7-hydroxy-3-methyl-phthalide；7-Hydroxy-3-methyl-phthalid；1(3H)-Isobenzofuranone, 7-hydroxy-3-methyl-；7-hydroxy-3-methyl-3H-2-benzofuran-1-one
• CAS: 135187-61-0
• 化学式: C₉H₈O₃
• 分子量: 164.161
• InChiKey: JXFGWOKQZVKZHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methyl-7-hydroxyphthalide 以 5,5-dimethyl-1,3-cyclohexadiene 、 正己烷 为溶剂， 生成 7-hydroxy-3-methyl-isobenzofuran-1(3H)-thione
  参考文献：
  名称：

  Heterocyclic compounds

  摘要：

  该发明涉及公式##STR1##中的化合物，其中W、X、Y.sup.1、Y.sup.2、Z、R.sup.1、R.sup.2和R.sup.14如描述中所定义，并涉及其制备、包含此类化合物作为活性成分的除草剂组合物和植物生长调节剂组合物，以及利用这些活性成分或组合物来控制杂草和调节植物生长。

  公开号：

  US05332717A1
• 作为产物：
  描述：

  水杨酸乙酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 21.5h， 生成 3-methyl-7-hydroxyphthalide
  参考文献：
  名称：

  Black, Michael; Cadogan, J. I. G.; McNab, Hamish, Journal of the Chemical Society. Perkin transactions I, 1994, # 2, p. 155 - 160

  摘要：

  DOI：

文献信息

• Herbicidal 1,2,4,6-thiatriazines
  申请人：Syngenta Investment Corporation

  公开号：US06362134B1

  公开（公告）日：2002-03-26

  Compounds of formula (I), in which R1, R2 and R3 are as defined in claim 1, are particularly suitable as herbicides.

  式（I）中的化合物，其中R1、R2和R3如权利要求1所定义，特别适用作为除草剂。
• Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds
  申请人：——

  公开号：US20020002161A1

  公开（公告）日：2002-01-03

  Certain 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indoles are 5-HT ligands and are useful for treating diseases wherein modulation of 5-HT activity is desired.

  某些2,3,4,5-四氢-1H-[1,4]二氮杂丁[1,7-a]吲哚化合物是5-HT受体配体，并且可用于治疗需要调节5-HT活性的疾病。
• 7-(4,6-Dimethoxypyrimidinyl)oxy- and -thiophthalides as novel herbicides: Part 1. CGA 279 233: a new grass-killer for rice
  作者：Christoph Lüthy、Helmut Zondler、Thomas Rapold、Gottfried Seifert、Bernhard Urwyler、Thomas Heinis、Hans Christian Steinrücken、James Allen

  DOI：10.1002/ps.304

  日期：2001.3

  A series of novel types of 7-(4,6-dimethoxypyrimidin-2-yl)oxy- and -thio-3-methyl-1 (3H)-isobenzofuranones were discovered at Dr R Maag AG. From the thio-isobenzofuranyl series, CGA 279 233--BSI-proposed common name pyriftalid--was chosen for further development as a grass herbicide for use in rice. General synthetic approaches to these new phthalic acid-derived compounds are given, with emphasis on

  R R Maag AG博士发现了一系列新型的7-（4,6-二甲氧基嘧啶-2-基）氧基-和-硫代-3-甲基-1（3H）-异苯并呋喃酮。从硫代-异苯并呋喃基系列中，选择CGA 279 233（BSI提出的通用名称pyrpidalid）作为水稻中的除草剂进行进一步开发。给出了这些新的邻苯二甲酸衍生化合物的一般合成方法，重点是吡苯哌啶的合成及其理化行为。
• Process for the preparation of 7-substituted 3-alkyl-3h-isobenzofuran-1-one derivatives
  申请人：——

  公开号：US20040158080A1

  公开（公告）日：2004-08-12

  Process for the preparation of compounds of formula (I) wherein R is halogen, R 1 O 1 R 1 S(O) n or (R 1 ) 2 NC(X)O; R 1 is C 1 -C 8 alkly, aryl-C 1 -C 8 alkyl, C 1 -C 8 haloalkyl or aryl; n is 0, 1, 2 or 3; X is O or S; and R 2 is hydrogen, C 1 -C 4 alkyl or C 1 -C 4 haloalkyl, in which process, in a solvent, (1) an aniline derivative of formula (IV) wherein R is as defined above, and R 3 is C 1 -C 5 alkyl or C 1 -C 5 haloalkyl, is diazotised in the presence of a mineral acid to form the corresponding diazonium salt of formul (II) wherein R and R 3 are as defined above, A m− is an anion, and m is 1 or 2, (2) the resulting diazonium salt of formula (II) is carbonylated in the presence of a catalyst, CO and optionally a buffer, to form a benzoic acid derivative of formula (III) wherein R and R 3 are as defined above, and (3) the benzoic acid derivative of formula (III) is then subjected to benzylic lactonisation in the ortho-position alkyl chain R 3 in the presence of a free-radical initiator and a halogenating agent.

  制备式（I）化合物的过程，其中R为卤素，R1O1R1S（O）nor（R1）2NC（X）O; R1为C1-C8烷基，芳基-C1-C8烷基，C1-C8卤代烷基或芳基; n为0、1、2或3; X为O或S; R2为氢、C1-C4烷基或C1-C4卤代烷基，在该过程中，在溶剂中，（1）式（IV）的苯胺衍生物其中R如上所述，R3为C1-C5烷基或C1-C5卤代烷基，在矿酸存在下重氮化，形成相应的重氮盐式（II）其中R和R3如上所述，Am−为阴离子，m为1或2，（2）式（II）的重氮盐在催化剂、CO和可选缓冲剂的存在下进行羰基化，形成苯甲酸衍生物式（III）其中R和R3如上所述，（3）苯甲酸衍生物式（III）在自由基引发剂和卤代剂的存在下，在正交位烷基链R3中进行苯基内酯化。
• PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES
  申请人：Schnyder Anita

  公开号：US20080097111A1

  公开（公告）日：2008-04-24

  The present invention relates to a first compound having the formula wherein R is halogen, R 1 S(O) n or (R 1 ) 2 NC(X)O; R 1 is C 1 -C 8 alkyl, C 1 -C 8 haloalkyl, aryl-C 1 -C 8 -alkyl or aryl; n is 0, 1, 2 or 3; X is O or S; and R 3 is C 2 -C 5 alkyl or C 1 -C 5 haloalkyl, or a salt thereof. The present invention is also directed to a second compound having the formula wherein R is fluorine, bromine, iodine, R 1 S(O) n or (R 1 ) 2 NC(X)O; R 1 is C 1 -C 8 alkyl, C 1 -C 8 haloalkyl, aryl-C 1 -C 8 alkyl or aryl; n is 0, 1, 2 or 3; X is O or S; and R 2 is hydrogen, C 1 -C 4 alkyl or C 1 -C 4 haloalkyl, with the proviso that R 1 is different from C 1 -C 8 alkyl or aryl if X is S, R is different from iodine if R 2 is methyl, and R is different from fluorine, bromine or iodine if R 2 is hydrogen.

  本发明涉及一种具有以下式的第一化合物： 其中R为卤素，R1S（O）nor（R1）2NC（X）O; R1为C1-C8烷基，C1-C8卤代烷基，芳基-C1-C8-烷基或芳基; n为0，1，2或3; X为O或S; R3为C2-C5烷基或C1-C5卤代烷基，或其盐。本发明还涉及一种具有以下式的第二化合物： 其中R为氟、溴、碘、R1S（O）nor（R1）2NC（X）O; R1为C1-C8烷基，C1-C8卤代烷基，芳基-C1-C8-烷基或芳基; n为0，1，2或3; X为O或S; R2为氢、C1-C4烷基或C1-C4卤代烷基，但R1与若X为S，则与C1-C8烷基或芳基不同；若R2为甲基，则R与碘不同；若R2为氢，则R与氟、溴或碘不同。