carbamic acid-(2-methyl-butyl ester) | 122856-00-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: carbamic acid-(2-methyl-butyl ester)
• 英文别名: Carbamidsaeure-(2-methyl-butylester)；2-Methylbutyl carbamate
• CAS: 122856-00-2
• 化学式: C₆H₁₃NO₂
• mdl: MFCD19204168
• 分子量: 131.175
• InChiKey: TVDAXWXGTHFBOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  carbamic acid-(2-methyl-butyl ester) 在 dirhodium tetraacetate 碘苯二乙酸 、 magnesium oxide 作用下， 以 二氯甲烷 为溶剂， 生成 4-乙基-4-甲基-1,3-恶唑烷-2-酮
  参考文献：
  名称：

  A Rh-Catalyzed C−H Insertion Reaction for the Oxidative Conversion of Carbamates to Oxazolidinones

  摘要：

  Selective intramolecular alkane oxidations: an RhII carboxylate catalyzed C-H amination reaction facilitates the preparation of 1,2-amino alcohols from primary carbamates. The reaction is stereospecific, providing access to chiral α-branched amines from optically pure starting materials with no loss in enantiomeric excess.

  DOI：

  10.1002/1521-3773(20010202)40:3<598::aid-anie598>3.0.co;2-9
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氨 、 水 作用下， 生成 carbamic acid-(2-methyl-butyl ester)
  参考文献：
  名称：

  Marckwald, Chemische Berichte, 1904, vol. 37, p. 1045

  摘要：

  DOI：

文献信息

• [EN] FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF<br/>[FR] DERIVES DE LA PYRIMIDIN-4(3H)-ONE A CYCLES FUSIONNES, SPN PROCEDE DE PREPARATION ET SES UTILISATIONS
  申请人：SANKYO CO

  公开号：WO2003106435A1

  公开（公告）日：2003-12-24

  AbstractNovel compounds of the following formula (I) and pharmacologically acceptable salt and esters thereof can modulate LXR function and as a result show excellent anti-arteriosclerotic and anti-inflammatory activity:wherein:A represents aryl or heteroaryl;R1, R2 and R3 are the same or different and each represents hydrogen, hydroxyl, nitro, cyano, amino, halogen, carboxy, carbamoyl, mercapto, alkyl, haloalkyl, alkylcarbonyloxy, alkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, alkylamino, dialkylamino, alkylcarbonylamino, N-(alkylcarbonyl)-N-(alkyl)amino, alkoxycarbonylamino, N-(alkoxycarbonyl)-N-(alkyl)amino, alkylsulfonylamino, N-(alkylsulfonyl)-N-(alkyl)amino, haloalkylsulfonylamino, N-(haloalkylsulfonyl)-N-(alkyl)amino, alkylcarbonyl, alkoxycarbonyl, alkylaminocarbonyl or dialkylaminocarbonyl group, or R1 and R2 together are alkylenedioxy;R4 and R5 are the same or different and each represents hydrogen, hydroxyl, amino, halogen, mercapto, alkyl, haloalkyl, alkoxy, alkoxycarbonyl or alkylthio;X represents hydrogen, hydroxyl, halogen, alkoxy or haloalkoxy; andY represents an optionally substituted alkyl, cycloalkyl, heterocyclyl, aryl, cycloalkylalkyl, heterocyclylalkyl or aralkyl group.

  新化合物具有以下式（I）的结构，其药学上可接受的盐和酯可以调节LXR功能，从而表现出优秀的抗动脉粥样硬化和抗炎活性：其中：A代表芳基或杂环芳基；R1、R2和R3相同或不同，每个代表氢、羟基、硝基、氰基、氨基、卤素、羧基、氨基甲酰基、巯基、烷基、卤代烷基、烷基羰氧基、烷氧基、烷硫基、烷磺基、烷基氨基、二烷基氨基、烷基羰基氨基、N-（烷基羰基）-N-（烷基）氨基、烷氧羰基氨基、N-（烷氧羰基）-N-（烷基）氨基、烷磺酰氨基、N-（烷磺酰基）-N-（烷基）氨基、卤代烷基磺酰氨基、N-（卤代烷基磺酰基）-N-（烷基）氨基、烷基羰基、烷氧羰基、烷基氨基羰基或二烷基氨基羰基，或R1和R2一起是亚烷二氧基；R4和R5相同或不同，每个代表氢、羟基、氨基、卤素、巯基、烷基、卤代烷基、烷氧基、烷氧羰基或烷硫基；X代表氢、羟基、卤素、烷氧基或卤代烷氧基；Y代表可选择取代的烷基、环烷基、杂环烷基、芳基、环烷基烷基、杂环烷基烷基或芳基烷基。
• OXIME GROUP-CONTAINING CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND OR THE SALT, AND METHOD FOR USING THE INSECTICIDE
  申请人：Nihon Nohyaku Co., Ltd.

  公开号：US20200085054A1

  公开（公告）日：2020-03-19

  In crop production in the fields of agriculture, horticulture and the like, the damage caused by insect pests etc. is still immense, and insect pests resistant to existing insecticides have emerged. The present invention has been made in view of such circumstances, and an object of the present invention is to develop and provide a novel agricultural and horticultural insecticide. The present invention provides an oxime group-containing condensed heterocyclic compound represented by the general formula (1): wherein R 1 represents an alkoxy group, R 2 represents a haloalkyl group, R 3 represents a haloalkylthio group, A represents an oxygen atom, A 1 represents a CH group, m represents 2, and n represents 1}, or a salt thereof; an agricultural and horticultural insecticide comprising the compound or the salt as an active ingredient; and a method for using the insecticide.

  在农业、园艺等领域的作物生产中，由昆虫害等造成的损害仍然巨大，并且出现了对现有杀虫剂具有抗性的昆虫害。鉴于这种情况，本发明的目的是开发并提供一种新型的农业和园艺杀虫剂。本发明提供了一种含有肟基的缩合杂环化合物，其通式表示为（1）：其中R1代表烷氧基，R2代表卤代烷基，R3代表卤代烷硫基，A代表氧原子，A1代表CH基团，m代表2，n代表1}，或其盐；一种以该化合物或盐为活性成分的农业和园艺杀虫剂；以及使用该杀虫剂的方法。
• 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same
  申请人：Tsukamoto Yoshihisa

  公开号：US20050037925A1

  公开（公告）日：2005-02-17

  A compound represented by the formula: [wherein R 1 represents a hydrogen atom, a halogen, atom, alkyl group, etc., R 2 represents a hydrogen atom, a halogen atom, alkyl group, etc., R 3 , R 4 , R 5 , R 6 and R 7 each independently represent a hydrogen atom, a halogen atom, a substitutable alkyl group, a substitutable alkenyl group, alkynyl group, a substituteable cycloalkyl group, etc., or R 3 , R 4 , R 5 , R 6 and R 7 may form a ring which may be substituted, which is formed by the adjacent two of them with carbon atoms to which the respective substituents are bonded, m and n each independently represent 0 or 1.] a salt thereof, an ester derivative thereof and an agricultural chemical containing the same as an effective ingredient, and a herbicidal composition containing the compound and a second herbicidally active compound as effective ingredients.

  一种化合物由以下式子表示：[其中R1代表氢原子，卤素原子，烷基团等，R2代表氢原子，卤素原子，烷基团等，R3，R4，R5，R6和R7各自独立地代表氢原子，卤素原子，可替换的烷基团，可替换的烯基团，炔基团，可替换的环烷基团等，或R3，R4，R5，R6和R7可以形成一个环，该环可以被取代，该环由相邻的两个碳原子形成，这些碳原子与相应的取代基团相连，m和n各自独立地代表0或1。]其盐，酯衍生物及含有该化合物为有效成分的农药，以及含有该化合物和第二种草甘膦活性化合物为有效成分的除草剂组合物。
• Substituted 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine derivative and use thereof
  申请人：Kuramochi Hiroshi

  公开号：US20070129383A1

  公开（公告）日：2007-06-07

  Disclosed is a [1,2,4]triazolo[1,5-a]pyrimidine derivative represented by the general formula (I) below or a pharmaceutically acceptable salt thereof. Also disclosed is a medicine containing such a derivative or a salt thereof as an active constituent. In the formula, Ar represents a phenyl group which may have a substituent or a 5- or 6-membered aromatic heterocyclic ring which contains one heteroatom and may have a substituent, and R represents a (C 1 -C 6 ) alkyl group which may be substituted or the like.

  本发明涉及一种由下述通式（I）表示的[1,2,4]三唑并[1,5-a]嘧啶衍生物或其药学上可接受的盐。还公开了一种包含该衍生物或其盐作为活性成分的药物。在该式中，Ar代表苯基，该苯基可以具有取代基或含有一个杂原子的5-或6-成员芳香杂环，该芳香杂环可以具有取代基；R代表（C1-C6）烷基，该烷基可以被取代或类似。
• Production Process of cyclopropylphenol derivatives
  申请人：Tsukamoto Yoshihisa

  公开号：US20090054681A1

  公开（公告）日：2009-02-26

  A process for producing a cyclopropylphenol represented by of formula (10): wherein R 1 , R 2 , R 3 and R 4 each may represent a hydrogen; Z represents a hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl or phenyl; and Y 1 , Y 2 and Y 3 each may represent a hydrogen; by reacting a compound of formula (7): wherein X represents a halogen; and V represents a hydrogen or —W—R 5 , with a metal, metal salt or organometallic compound of formula (8): M 2 to obtain a compound of formula (9): and obtaining a compound represented by general of formula (10) by hydrolysis in the case wherein V represents —W—R 5 , wherein W is CO, SO or SO 2 and R 5 is alkyl, haloalkyl, cycloalkyl, alkenyl, alkynyl, phenyl, alkoxy or haloalkoxy.

  一种生产环丙基酚的方法，其化学式表示为(10): 其中，R1、R2、R3和R4均可代表氢原子；Z代表氢原子、烷基、烯基、炔基、环烷基或苯基；Y1、Y2和Y3均可代表氢原子。该方法通过将化合物(7)： 其中，X代表卤素；V代表氢原子或-W-R5，与化合物(8)： M2代表金属、金属盐或有机金属化合物，反应得到化合物(9)： 在V代表-W-R5的情况下，通过水解得到化学式为(10)的化合物，其中W为CO、SO或SO2，R5为烷基、卤代烷基、环烷基、烯基、炔基、苯基、烷氧基或卤代烷氧基。