3-Chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-indazole | 91167-58-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-Chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-indazole
• 英文别名: 3-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4,5,6,7-tetrahydroindazole；3-chloro-2-[4-chloro-5-hydroxy-2-fluorophenyl]-4,5,6,7-tetrahydro-2H-indazole；3-chloro-2-(4-chloro-2fluoro-5-hydroxyphenyl)-4,5,6,7-tetrahydroindazole；2-Chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenol
• CAS: 91167-58-7
• 化学式: C₁₃H₁₁Cl₂FN₂O
• 分子量: 301.148
• InChiKey: QINJMNHNGRWJJR-UHFFFAOYSA-N

物化性质

• 熔点：
  183-185 °C
• 沸点：
  448.6±45.0 °C(Predicted)
• 密度：
  1.57±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-indazole 生成 3-chloro-2-(4-chloro-5-ethoxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole
  参考文献：
  名称：

  NAGANO, EIKI;TAKEMOTO, ICHIKI;FUKUSHIMA, MASAYUKI;YOSHIDA, RYO;MATSUMOTO,+

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯-4-氟-5-硝基苯酚 在 氢气 、 tin(ll) chloride 、 sodium nitrite 、 三氯氧磷 作用下， 生成 3-Chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-indazole
  参考文献：
  名称：

  Ando, Iwao; Ohtsuka, Toshikazu; Miki, Nobuo, Agricultural and Biological Chemistry, 1989, vol. 53, # 7, p. 2001 - 2004

  摘要：

  DOI：

文献信息

• A simple preparative route to new fluoroisopropenyl carbamates and ethers
  作者：Makoto Shimizu、Eiichi Tanaka、Hirosuke Yoshioka

  DOI：10.1039/c39870000136

  日期：——

  1,3-Dihalogenoprop-2-yl chloroformate and chloromethyl 1,3-dichloroprop-2-yl ether are used as versatile reagents for fluoroisopropenyl carbamylation and fluoroisopropenoxymethyl etherification, respectively.

  氯甲酸1，3-二卤代丙-2-基酯和氯甲基1，3-二氯丙-2-基醚分别用作氟代异丙烯基氨甲酰化和氟代异丙烯氧甲基醚化的通用试剂。
• N-phenyltetrahydroindazoles, their preparation, and their use as crop
  申请人：BASF Aktiengesellschaft

  公开号：US05939558A1

  公开（公告）日：1999-08-17

  N-Phenyltetrahydroindazoles of formula (I), where R.sub.1 is H or C.sub.1-4 -alkyl; R.sup.2 is halogen, C.sub.1-4 -alkyl or C.sub.1-4 -haloalkyl; R.sup.3 is H or halogen; R.sup.4 is NO.sub.2, halogen, C.sub.1-4 -alkyl or C.sub.1-4 -haloalkyl; R.sup.5 is --XR.sup.6 ; X is --O--, --S--, --SO-- or --SO.sub.2 --; R.sup.6 is --Alk--R.sup.7 ; Alk is a substituted or unsubstituted methylene, ethylene, propylene, butylene or pentamethylene chain, where one chain member can carry a spiro-linked 2- to 5-membered C chain or where 2 ring members can be bridged via a C.sub.1-5 -alkylene chain; R.sup.7 is CN, SCN, halogen or --YR.sup.11, where Y is --O--, --S--, --SO-- or --SO.sub.2 --; R.sup.10 is H, OH, C.sub.1 -C.sub.4 -alkyl, C.sub.1 -C.sub.4 -haloalkyl, C.sub.3 -C.sub.5 -cycloalkyl, C.sub.1 -C.sub.4 -alkoxy, C.sub.1 -C.sub.4 -haloalkoxy, C.sub.3 -C.sub.5 -cycloalkoxy, C.sub.1 -C.sub.4 -alkylthio, C.sub.1 -C.sub.4 -haloalkylthio, --NH--R.sup.12, --N(C.sub.1 -C.sub.4 -alkyl)--R.sup.12, --N(C.sub.3 -C.sub.4 -alkenyl)-R.sup.12, --N(C.sub.3 -C.sub.4 -alkynyl)-R.sup.12, pyrrolidin-1-yl, piperid-1-yl, morpholin-4-yl, azepan-1-yl, (i) unsubstituted or substituted phenyl, benzyl, phenoxy or benzyloxy; R.sup.11 is C.sub.1-6 -alkyl, C.sub.1-6 -haloalkyl or C.sub.1-6 -cycloalkyl; R.sup.12 is H, OH, C.sub.1-4 -alkyl, C.sub.3-4 -alkenyl, C.sub.3-4 -alkynyl, C.sub.3-6 -cycloalkyl, C.sub.1-4 -alkoxy, C.sub.3-4 -alkenyloxy, C.sub.3-4 -alkenyloxy, C.sub.3-4 -alkynyloxy, or substituted or unsubstituted phenyl or benzyl; and the agriculturally utilizable salts of formula (I), with the provisoes that the simultaneous meaning of R.sup.6 as dihalomethyl, R.sup.2 and R.sup.4 as chlorine and R.sup.3 as halogen is excluded; the simultaneous meaning of X as oxygen and R.sup.7 as --OR.sup.11 or C.sub.1 -C.sub.6 -alkylthio is excluded; Alk must not carry a spiro-linked three-membered ring if R.sup.7 is halogen and R.sup.11 is not C.sub.1-6 -alkyl if R.sup.1 is H, R.sup.2 is C.sub.1-4 -haloalkyl, R.sup.3 is F, R.sup.4 is halogen and R.sup.7 is --R.sup.11. Use: as herbicides; for desiccating/defoliating plants.

  公式（I）的N-苯基四氢吲哚，其中R.sub.1为H或C.sub.1-4-烷基；R.sup.2为卤素，C.sub.1-4-烷基或C.sub.1-4-卤代烷基；R.sup.3为H或卤素；R.sup.4为NO.sub.2，卤素，C.sub.1-4-烷基或C.sub.1-4-卤代烷基；R.sup.5为--XR.sup.6；X为--O--，--S--，--SO--或--SO.sub.2--；R.sup.6为--Alk--R.sup.7；Alk为取代或未取代的亚甲基，乙烯基，丙烯基，丁烯基或戊烯基链，其中一个链成员可以携带一个螺环联接的2-至5-成员C链，或者2个环成员可以通过一个C.sub.1-5-烷基链桥接；R.sup.7为CN，SCN，卤素或--YR.sup.11，其中Y为--O--，--S--，--SO--或--SO.sub.2--；R.sup.10为H，OH，C.sub.1-C.sub.4-烷基，C.sub.1-C.sub.4-卤代烷基，C.sub.3-C.sub.5-环烷基，C.sub.1-C.sub.4-烷氧基，C.sub.1-C.sub.4-卤代烷氧基，C.sub.3-C.sub.5-环烷氧基，C.sub.1-C.sub.4-烷硫基，C.sub.1-C.sub.4-卤代烷硫基，--NH--R.sup.12，--N(C.sub.1-C.sub.4-烷基)--R.sup.12，--N(C.sub.3-C.sub.4-烯基)-R.sup.12，--N(C.sub.3-C.sub.4-炔基)-R.sup.12，吡咯烷-1-基，哌啶-1-基，吗啉-4-基，氮杂环庚烷-1-基，（i）未取代或取代的苯基，苄基，苯氧基或苄氧基；R.sup.11为C.sub.1-6-烷基，C.sub.1-6-卤代烷基或C.sub.1-6-环烷基；R.sup.12为H，OH，C.sub.1-4-烷基，C.sub.3-4-烯基，C.sub.3-4-炔基，C.sub.3-6-环烷基，C.sub.1-4-烷氧基，C.sub.3-4-烯氧基，C.sub.3-4-炔氧基，C.sub.3-4-炔氧基，或取代或未取代的苯基或苄基；以及公式（I）的可用于农业的盐，但同时排除R.sup.6为二卤甲基，R.sup.2和R.sup.4为氯和R.sup.3为卤素的含义；同时将X解释为氧，R.sup.7为--OR.sup.11或C.sub.1-C.sub.6-烷硫基的含义排除；如果R.sup.7为卤素，则Alk不得携带螺环联接的三成员环，如果R.sup.1为H，R.sup.2为C.sub.1-4-卤代烷基，R.sup.3为F，R.sup.4为卤素，R.sup.7为--R.sup.11，则R.sup.11不得为C.sub.1-6-烷基。用途：作为除草剂；用于干燥/落叶植物。
• Herbicidal 2-(5-isoxazolinyl methyloxyphenyl)-4,5,6,7-tetrahydro -2H-indazole derivatives
  申请人：Korea Research Institute of Chemical Technology

  公开号：US06239076B1

  公开（公告）日：2001-05-29

  The present invention relates to 2-(5-isoxazolinylmethyloxyphenyl)-4,5,6,7-tetrahydro-2H-indazole derivatives of formula 1, their preparation method and their use as herbicides. As the compounds have excellent herbicidal activity against paddy weeds comprising ECHOR, SCPJU, MOOVA, CYPSE and SAGPY, and better selectivity, the compounds of the present invention are typically useful as herbicides for control of paddy weeds in conditions with seeded rice and transferred rice.

  本发明涉及式1的2-(5-异唑啉甲氧基苯基)-4,5,6,7-四氢-2H-吲唑衍生物，其制备方法以及它们作为除草剂的用途。由于该化合物对包括ECHOR、SCPJU、MOOVA、CYPSE和SAGPY在内的水稻杂草具有出色的除草活性和更好的选择性，因此本发明的化合物通常作为除草剂用于控制种植水稻和转化水稻的条件下的水稻杂草。
• 4,5,6,7-tetrahydro-2H-indazole derivatives and herbicides containing them
  申请人：Shionogi & Co., Ltd.

  公开号：US04695312A1

  公开（公告）日：1987-09-22

  A compound (I) of the formula: ##STR1## (wherein X and Y each is halogen) and herbicidal compositions containing the compound (I) are provided.

  提供了一种化合物（I）以及含有该化合物（I）的除草剂组合物，该化合物（I）的化学式为：##STR1##（其中X和Y分别为卤素）。
• Herbicidal 2-substituted phenyl-4,5,6,7-tetrahydro-2H-indazoles
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04670043A1

  公开（公告）日：1987-06-02

  A 2-substituted phenyl-4,5,6,7-tetrahydro-2H-indazole compound of the formula: ##STR1## wherein X is a chlorine atom or a bromine atom, Y is an oxygen atom or an imino group, Z is a chlorine atom or a methyl group and R is a C.sub.2 -C.sub.4 alkyl group, a C.sub.3 -C.sub.4 alkenyl group or a C.sub.3 -C.sub.4 alkynyl group, which is useful as a herbicide.

  一种具有除草作用的2-取代苯基-4,5,6,7-四氢-2H-吲唑化合物，其化学式为：##STR1## 其中X为氯原子或溴原子，Y为氧原子或亚胺基，Z为氯原子或甲基基团，R为C.sub.2-C.sub.4烷基、C.sub.3-C.sub.4烯基或C.sub.3-C.sub.4炔基，