1-(2,4-二氯苯基)-2,2-二甲基-1-丙酮 | 898766-57-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2,4-二氯苯基)-2,2-二甲基-1-丙酮
• 英文名称: 1-(2,4-dichlorophenyl)-2,2-dimethylpropan-1-one
• 英文别名: 2',4'-Dichloro-2,2-dimethylpropiophenone
• CAS: 898766-57-9
• 化学式: C₁₁H₁₂Cl₂O
• 分子量: 231.122
• InChiKey: MRWQVMZQYPUIRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  1-(2,4-二氯苯基)-2,2-二甲基-1-丙酮 在 盐酸 、 硫酸 、 三氟化硼乙醚 、 硝酸 、 tin(ll) chloride 作用下， 以 乙醇 、 环己烷 、 水 为溶剂， 反应 2.0h， 生成 1-(5-(tert-butylamino)-2,4-dichlorophenyl)-2,2-dimethylpropan-1-one
  参考文献：
  名称：

  Synthesis of Polycyclic Molecules by Double C(sp²)−H/C(sp³)−H Arylations with a Single Palladium Catalyst

  摘要：

  Polycyclic molecules were obtained in good yields by double C(sp(2))-H/C(sp(3))-H arylations mediated by a single palladium/phosphine catalyst. Both double intermoleculadintramolecular and intramoleculadintramolecular C-C couplings were performed successfully, which indicates that this concept has a broad applicability for the rapid construction of molecular complexity.

  DOI：

  10.1021/ol200329e
• 作为产物：
  描述：

  1-(4-氯苯基)-2,2-二甲基-1-丙酮 在 dipotassium peroxodisulfate 、 N-氯代丁二酰亚胺 、 三氟甲磺酸 、 palladium diacetate 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 30.0h， 以87%的产率得到1-(2,4-二氯苯基)-2,2-二甲基-1-丙酮
  参考文献：
  名称：

  Palladium-catalyzed ortho-selective CH bond chlorination of aromatic ketones

  摘要：

  A palladium-catalyzed ortho-selective C-H bond chlorination reaction for the preparation of 2-chloro aromatic ketones was described. Both electron-withdrawing and electron-donating groups on the aromatic rings are well tolerated under the optimized conditions. The 2-chloro aromatic ketones obtained by our method could be applied to synthesize the derivatives of 1H-indazole or benzo[d]isoxazole. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2015.07.011

文献信息

• 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication
  申请人：Bonfanti Jean-Francois

  公开号：US20080146564A1

  公开（公告）日：2008-06-19

  Novel 1,3-dihydro-benzimidazol-2-ylidene amine derivatives of formula the addition salts and stereochemically isomeric forms wherein each Alk is C 1-6 alkanediyl; Q is hydrogen; C 1-6 alkyl substituted with one or two Ar 2 radicals; CI 1-6 alkyl substituted with quinolinyl, oxazolidinyl, thiazolidinyl, morpholinyl, thiomorpholinyl, or with pyrrolidinonyl; —CO—Ar 2 ; or Q is a radical of formula wherein t is 1, 2 or 3; R 4 is amino, mono- or di(C 1-6 alkyl)amino; R 1 is Ar 2 , —CO—Ar 2 or a monocyclic or bicyclic heterocycle which may optionally be substituted; R 2 is as R 1 and additionally can be hydrogen; where Q is other than hydrogen, R 3 is hydrogen; and where Q is other than hydrogen, R 3 is a radical: wherein R 6 is hydrogen, C 1-6 alkyl, substituted C 1-6 alkyl; R 7 , R 8 , R 9 are halo, cyano, C 1-6 alkyl, substituted C 1-6 alkyl, C 2-6 alkenyl, cyanoC 2-6 alkenyl, C 2-6 alkynyl, cyanoC 2 6 alkynyl, Ar 1 , R 10a —0—, R 10a —S—, —N(R 5a R 5b ), R 10a —O—C(═O)—, N(R 5a R 5b )—C(═O)—, R 10a —C(═O)—NR 5b 1', R 10b —C(═O)—O—; and R 8 and/or R 9 may also be hydrogen; which are RSV inhibitors. Compositions containing these compounds and processes for preparing these compounds and compositions.
• FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF
  申请人：Qingdao Kingagroot Chemical Compound Co., Ltd.

  公开号：US20210032222A1

  公开（公告）日：2021-02-04

  The invention belongs to the technical field of agricultural chemicals, and in particular relates to a five-membered ring-substituted pyridazinol compound and a derivatives thereof, preparation method, herbicidal composition and application thereof. The compound is as shown in Formula I: wherein, X is halogen, cyano, alkyl, halogenated alkyl, alkoxy, halogenated alkoxy, R 1 R 2 N—(C═O)—, or R 1 R 2 N—, etc.; Ar is Het is a 5-membered unsaturated ring, the ring contains, besides the 1-C atom, 0 to 4 atoms or radicals follows to form the ring: O, NR b , S; R a is one or more groups selected from: hydrogen, halogen, R—O—(CH 2 ) n —, and R 1 R 2 R 3 SiO—, etc.; m is 0 or 1, n and q are independently an integer from 0 to 8, p is an integer from 1 to 8; R is hydrogen, or a halogen-containing or not containing group selected from alkyl, and alkenyl, etc.; R b , R 1 , R 2 , R 3 are each independently hydrogen, nitro, hydroxy, or amino, etc. The compound and the derivative, as well as the composition thereof have very high herbicidal activity and good selectivity, and are safe for crops.
• PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF
  申请人：Qingdao Kingagroot Chemical Compound Co., Ltd.

  公开号：US20210032229A1

  公开（公告）日：2021-02-04

  The invention belongs to the technical field of agricultural chemicals, and in particular relates to a pyridine ring-substituted pyridazinol compound and a derivatives thereof, preparation method, herbicidal composition and application thereof. The compound is as shown in Formula I: wherein, X is halogen, cyano, alkyl, halogenated alkyl, alkoxy, halogenated alkoxy, R 1 R 2 N—(C═O)—, R 1 R 2 N—, hydroxy, or unsubstituted or substituted aryl; Y is independently selected from hydrogen, halogen, cyano, nitro, R—O—(CH 2 ) n —, and R 1 R 2 R 3 SiO—, etc.; r is an integer from 0 to 4, m is 0 or 1, n and q are independently an integer from 0 to 8, p is an integer from 1 to 8; R is hydrogen, or a halogen-containing or not containing group selected from alkyl, alkenyl, alkynyl, and cycloalkyl, etc.; R 1 , R 2 , R 3 are each independently hydrogen, nitro, or hydroxy, etc. The compound and the derivative, as well as the composition thereof have very high herbicidal activity and good selectivity, and are safe for crops.
• US7645771B2
  申请人：——

  公开号：US7645771B2

  公开（公告）日：2010-01-12
• US7956196B2
  申请人：——

  公开号：US7956196B2

  公开（公告）日：2011-06-07