methyl 6-methyl-4-oxo-2-phenyl-4H-pyran-3-carboxylate | 81051-54-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: methyl 6-methyl-4-oxo-2-phenyl-4H-pyran-3-carboxylate
• 英文别名: 3-methoxycarbonyl-6-methyl-2-phenyl-4-pyrone；methyl 6-methyl-4-oxo-2-phenylpyran-3-carboxylate
• CAS: 81051-54-9
• 化学式: C₁₄H₁₂O₄
• 分子量: 244.247
• InChiKey: WGYDJYDVARTBDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 6-methyl-4-oxo-2-phenyl-4H-pyran-3-carboxylate 以14%的产率得到
  参考文献：
  名称：

  CARLSON, GLENN R.

  摘要：

  DOI：
• 作为产物：
  描述：

  3-benzoyl-4-hydroxy-6-methyl-2H-pyran-2-one 在 硫酸 、 原甲酸三甲酯 作用下， 以 甲醇 为溶剂， 生成 methyl 6-methyl-4-oxo-2-phenyl-4H-pyran-3-carboxylate
  参考文献：
  名称：

  Certain 2-phenyl-4-oxo-nicotinates and their use for inducing male

  摘要：

  本发明涉及公式如下的化合物：##STR1## 其中，R.sub.1是可选择取代的烷基或烯基基团；R.sub.2、R.sub.5和R.sub.6中至少有一个是##STR2## 其中，（1）当R.sub.2是##STR3##时，R.sub.5是氢原子、烷基或卤素原子，R.sub.6是氢原子或烷基；（2）当R.sub.5是##STR4##时，R.sub.2是烷基，R.sub.6是氢原子或烷基；（3）当R.sub.6是##STR5##时，R.sub.2是可选择取代的（C.sub.1-C.sub.6）烷基或（C.sub.3-C.sub.6）烯基基团，R.sub.5是氢原子、（C.sub.1-C.sub.6）烷基或卤素原子；（4）当R.sub.2和R.sub.6都独立地为##STR6##时，R.sub.5是氢原子或烷基；Y是氢原子或烷基；X是氢原子、卤素原子、三卤甲基基团等；n是1到3的整数；或其农学上可接受的碱金属或酸加成盐。这些化合物对单子叶作物具有化学杂交剂的作用，特别是对小麦、玉米、大麦、稻米、黑麦、小黑麦和饲料作物具有很好的效果。

  公开号：

  US04714492A1

文献信息

• Alkynyl Acylammoniums as Electrophilic 3C Synthons in a Formal [3 + 3] Annulation: Access to Functionalized 4<i>H</i>-Pyran-4-ones
  作者：Shuding Dong、Chao Fang、Weifang Tang、Tao Lu、Ding Du

  DOI：10.1021/acs.orglett.6b01891

  日期：2016.8.5

  acylammoniums generated in situ from alkynyl acids are first used as electrophilic 3C synthons in a formal [3 + 3] annulation with 1,3-dicarbonyl compounds for regioselective synthesis of functionalized 4H-pyran-4-ones via a 4-(dimethylamino)pyridine/Lewis acid dual-activation strategy. This protocol paves the way for further investigation of alkynyl acylammoniums as 3C synthons for construction of diverse heterocyclic

  由炔酸原位生成的炔基酰基lam首先在与1,3-二羰基化合物进行正式的[3 + 3]环合中用作亲电子3C合成子，以通过4-（二甲氨基）区域选择性合成功能化的4 H-吡喃-4-酮。吡啶/路易斯酸双重激活策略。该协议为进一步研究炔基酰基lam作为3C合成子构建各种杂环骨架铺平了道路。
• Aryl-4-oxonicotinates useful for inducing male sterility in cereal grain
  申请人：——

  公开号：US04936904A1

  公开（公告）日：1990-06-26

  The present invention relates to N-alkyl-2-aryl-4-oxonicotinates, N-alkyl-5-aryl-4-oxonicotinates, N-alkyl-6-aryl-4-oxonicotinates and N-alkyl-2,6-diaryl-4-oxonicotinates and their use as plant hybridization agents especially useful in wheat, barley and corn. These compounds are particularly active as chemical gametocides and possess a high degree of male/female selectivity. Moreover, these compounds are relatively noninjurious to both corn and wheat crops. The fact that these chemicals possess a high degree of male sterility without affecting female fertility makes them very useful as chemical gametocides.

  本发明涉及N-烷基-2-芳基-4-羟基吡啶酮酸酯、N-烷基-5-芳基-4-羟基吡啶酮酸酯、N-烷基-6-芳基-4-羟基吡啶酮酸酯和N-烷基-2,6-二芳基-4-羟基吡啶酮酸酯及其作为植物杂交剂的用途，特别适用于小麦、大麦和玉米。这些化合物在化学杂交中具有特别的活性，并具有很高的雄性/雌性选择性。此外，这些化合物对玉米和小麦作物相对无害。这些化学物质具有很高的雄性不育性而不影响雌性育性，使它们非常有用作为化学杂交剂。
• Certain-2,6-diphenyl-1,4-dihydro-4-oxo-nicotinates which are useful for
  申请人：Monsanto Company

  公开号：US04964896A1

  公开（公告）日：1990-10-23

  This invention relates to compounds of the formula: ##STR1## wherein R.sub.1 is an optionally substituted alkyl or alkenyl group; at least one of R.sub.2, R.sub.5 and R.sub.6 is ##STR2## wherein (1) when R.sub.2 is ##STR3## R.sub.5 is a hydrogen atom, an alkyl group or a halogen atom and R.sub.6 is a hydrogen atom or an alkyl group, (2) when R.sub.5 is ##STR4## R.sub.2 is an alkyl group and R.sub.6 is a hydrogen atom or an alkyl group, (3) when R.sub.6 is ##STR5## R.sub.2 is an optionally substituted (C.sub.1 -C.sub.6) alkyl or a (C.sub.3 -C.sub.6) alkenyl group and R.sub.5 is a hydrogen atom, a (C.sub.1 -C.sub.6) alkyl group or a halogen atom, and (4) when R.sub.2 and R.sub.6 are both independently ##STR6## R.sub.5 is hydrogen atom or an alkyl group; Y is a hydrogen atom or an alkyl group; X is a hydrogen atom, a halogen atom, a trihalomethyl group and the like; and n is an integer from 1 to 3; or the agronomically acceptable alkali metal or acid addition salts thereof. These compounds are useful as chemical hybridization agents on monocotyledonous crops and are especially effective in wheat, corn, barley, rice, rye, triticale and forage crops.

  本发明涉及以下式的化合物：## STR1 ## 其中R.sub.1是可选取代的烷基或烯基基团；R.sub.2，R.sub.5和R.sub.6中至少有一个是##STR2## 其中（1）当R.sub.2为##STR3## R.sub.5是氢原子，烷基或卤素原子，R.sub.6是氢原子或烷基基团， （2）当R.sub.5为##STR4## R.sub.2是烷基，R.sub.6是氢原子或烷基基团， （3）当R.sub.6为##STR5## R.sub.2是可选取代的（C.sub.1-C.sub.6）烷基或（C.sub.3-C.sub.6）烯基基团，R.sub.5是氢原子，（C.sub.1-C.sub.6）烷基或卤素原子， （4）当R.sub.2和R.sub.6都独立为##STR6## R.sub.5是氢原子或烷基基团；Y是氢原子或烷基基团；X是氢原子，卤素原子，三卤甲基基团等；n是1到3的整数；或其对农业有益的碱金属或酸加合盐。这些化合物在单子叶作物的化学杂交剂中很有用，特别是在小麦、玉米、大麦、稻米、黑麦、小黑麦和饲料作物中特别有效。
• CARLSON, GLENN R.
  作者：CARLSON, GLENN R.

  DOI：——

  日期：——
• Novel substituted oxonicotinates, their use as plant growth regulators and plant growth regulating compositions containing them
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0040082B1

  公开（公告）日：1984-04-25