1-(4-Chloro-phenyl)-4,6-dimethyl-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid | 24522-21-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(4-Chloro-phenyl)-4,6-dimethyl-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid
• 英文别名: 1-(p-Chlorophenyl)-1,2-dihydro-4,6-dimethyl-2-oxonicotinic acid；1-(4-chlorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
• CAS: 24522-21-2
• 化学式: C₁₄H₁₂ClNO₃
• mdl: MFCD02934957
• 分子量: 277.707
• InChiKey: SLRVNRROEYCAHO-UHFFFAOYSA-N

物化性质

• 沸点：
  460.2±45.0 °C(Predicted)
• 密度：
  1.368±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• 1,2,4-Triazole derivatives
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0275704A1

  公开（公告）日：1988-07-27

  A thiophene, furan or tetrahydrofuran triazolyl derivative having the general formula (I) or (II) : and stereoisomers thereof, wherein R¹ is tertiary butyl, which may be optionally substituted with one or more halogen atoms; R² is the group :     -(CH₂)n-Z or      -CH=CH-X or      -C≡C-Z where n is an integer from 0 to 3 and Z is an optionally substituted thiophene, furan, or tetrahydrofuran ring; and X is an optionally substituted thiophene or tetrahydro­furan ring; and R³ is hydrogen or an alkyl group containing from 1 to 4 carbon atoms; and salts, esters and metal complexes of the compound of formula (I) and (II) wherein R³ is hydrogen.

  一种具有通式(I)或(II)的噻吩、呋喃或四氢呋喃三唑基衍生物及其立体异构体，其中R¹为三丁基，可以选择性地用一个或多个卤素原子取代；R²为基团：-(CH₂)n-Z或-CH=CH-X或-C≡C-Z，其中n为0到3的整数，Z为可选择性取代的噻吩、呋喃或四氢呋喃环；X为可选择性取代的噻吩或四氢呋喃环；R³为氢或含有1至4个碳原子的烷基基团；以及通式(I)和(II)化合物的盐、酯和金属配合物，其中R³为氢。
• Heterocyclic tertiary alcohols
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0409418A1

  公开（公告）日：1991-01-23

  Heterocyclic tertiary alcohol compounds useful as plant growth regulators have the general formula (I) : wherein n is an integer which is 0 or 1; X is S or O; R¹ is an optionally substituted secondary or tertiary alkyl group or an optionally substituted cycloalkyl or alkylcycloalkyl group containing a total of from 3 to 7 carbon atoms; R² is a group : -(CH₂)a-C≡C-A (II) or -(CH₂)b-CH=CH-A (III) or -(CH₂)c-A (IV) or -CH₂-O-(CH₂)d-A (V) wherein A is an optionally substituted aryl group, a, b and d are integers from 0 to 2 and c is an integer from 0 to 4; or R² is an optionally halo-substituted alkyl, cycloalkyl, cycloalkylalkyl alkylcycloalkyl group or alkylcycloalkylalkyl, or is an optionally halo-substituted alkenyl, cycloalkenyl, cycloalkenylalkyl, alkylcycloalkenyl or alkylcycloalkenylalkyl group, or is an optionally halo-substituted alkynyl group each of said groups containing a total of from 4 to 8 carbon atoms; R³ is hydrogen, an alkyl group containing from 1 to 4 carbon atoms or an alkenyl or alkynyl group containing from 3 to 4 carbon atoms.

  具有植物生长调节剂作用的杂环三级醇化合物的一般公式为（I）：其中n是0或1的整数；X是S或O; R¹是一个可选的取代的二级或三级烷基或一个可选的取代的总碳原子数为3到7的环烷基或烷基环烷基基团；R²是一个基团：-(CH₂)a-C≡C-A（II）或-(CH₂)b-CH=CH-A（III）或-(CH₂)c-A（IV）或-CH₂-O-(CH₂)d-A（V）其中A是一个可选的取代的芳基基团，a、b和d是从0到2的整数，c是从0到4的整数；或R²是一个可选的卤代烷基、环烷基、环烷基烷基、烷基环烷基烷基基团或烷基环烷基烷基烷基基团，或是一个可选的卤代烯基、环烯基、环烯基烷基、烷基环烯基或烷基环烯基烷基基团，或是一个可选的卤代炔基基团，每个所述的基团都含有4到8个碳原子；R³是氢、含有1到4个碳原子的烷基基团或含有3到4个碳原子的烯基或炔基基团。
• Fungicidal acylaminbezamides, their production and use
  申请人：ZENECA LIMITED

  公开号：EP0468682A1

  公开（公告）日：1992-01-29

  Fungicidal compounds of formula (I): in which D and E are independently H or fluoro; X and Y are O or S; A, B, R³ and R⁴ have various specified values R¹ is C₂₋₄ alkenyl (optionally substituted with halogen), C₂₋₄ alkynyl (optionally substituted with halogen), halo(C₁₋₄)alkyl, C₃₋₆ cycloalkyl, C₃₋₆ cycloalkyl(C₁₋₄)alkyl, C₁₋₄ alkoxy(C₁₋₄)alkyl, C₁₋₄ alkylthio(C₁₋₄)alkyl or cyano; and R² is C₁₋₄ alkyl, C₁₋₄ alkoxy, C₂₋₄ alkenyl (optionally substituted with halogen), C₂₋₄ alkynyl (optionally substituted with halogen), halo(C₁₋₄) alkyl, C₃₋₆ cycloalkyl, C₃₋₆ cycloalkyl(C₁₋₄)alkyl, C₁₋₄alkoxy(C₁₋₄)alkyl, C₁₋₄ alkylthio(C₁₋₄)alkyl or cyano.

  化合物的杀菌成分公式（I）：其中D和E独立地为H或氟；X和Y为O或S；A、B、R³和R⁴具有不同的指定值，R¹为C₂₋₄烯基（可选择用卤素取代）、C₂₋₄炔基（可选择用卤素取代）、卤（C₁₋₄）烷基、C₃₋₆环烷基、C₃₋₆环烷基（C₁₋₄）烷基、C₁₋₄烷氧基（C₁₋₄）烷基、C₁₋₄烷基硫基（C₁₋₄）烷基或氰基；R²为C₁₋₄烷基、C₁₋₄烷氧基、C₂₋₄烯基（可选择用卤素取代）、C₂₋₄炔基（可选择用卤素取代）、卤（C₁₋₄）烷基、C₃₋₆环烷基、C₃₋₆环烷基（C₁₋₄）烷基、C₁₋₄烷氧基（C₁₋₄）烷基、C₁₋₄烷基硫基（C₁₋₄）烷基或氰基。
• FUNGICIDES
  申请人：——

  公开号：US20040092746A1

  公开（公告）日：2004-05-13

  The invention provides fungicidal compounds of formula (I) or stereoisomers thereof: 1 wherein X is CH 2 O; A is hydrogen; E is hydrogen; q is 1; any two of K, L and M are nitrogen and the other is CH; T is oxygen or sulfur; and Z is an optionally substituted phenyl group or an optionally substituted heterocyclyl group.

  该发明提供了式（I）或其立体异构体的杀真菌化合物：1其中X为CH2O；A为氢；E为氢；q为1；K、L和M中的任意两个为氮，另一个为CH；T为氧或硫；Z为可选取代的苯基或可选取代的杂环基。
• Triazole and imidazole compounds, a process for preparing them, their use as plant fungicides and fungicidal compositions containing them
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0052425A2

  公开（公告）日：1982-05-26

  Compounds of the formula: having pesticidal (especially fungicidal) and plant growth regulating activity wherein R is a bridging group -(CH2)n- where n is 0, 1 or 2, or a bridging group -CH=CH-, or is -O-, -S-, -NH-, or X is =N- or =CH-; Y and Z, which may be the same or different, are halogen, alkyl, alkoxy, halo-alkoxy, halo-alkyl, nitro, phenyl or phenoxy; m and p are 0, 1, 2 or 3; and salts, metal complexes and functional derivatives thereof.

  具有杀虫（特别是杀真菌）和植物生长调节活性的式化合物 具有杀虫（特别是杀真菌）和植物生长调节活性的化合物 其中 R 是桥基-(CH2)n-，其中 n 是 0、1 或 2，或桥基-CH=CH-，或-O-、-S-、-NH-，或 X 是 =N- 或 =CH-；Y 和 Z（可以相同或不同）是卤素、烷基、烷氧基、卤代烷氧基、卤代烷基、硝基、苯基或苯氧基；m 和 p 是 0、1、2 或 3；以及它们的盐、金属络合物和功能衍生物。