2-乙基-4,6-二甲基苯胺 | 40813-98-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-乙基-4,6-二甲基苯胺
• 英文名称: 2-ethyl-4,6-dimethylaniline
• 英文别名: 2,4-dimethyl-6-ethylaniline；2-Aethyl-4,6-dimethyl-anilin；4-Amino-1.3-dimethyl-5-aethyl-benzol
• CAS: 40813-98-7
• 化学式: C₁₀H₁₅N
• mdl: MFCD09909631
• 分子量: 149.236
• InChiKey: VBOWSMQIENLDDN-UHFFFAOYSA-N

物化性质

• 保留指数：
  1309.1

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921430090
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  2-乙基-4,6-二甲基苯胺 在 calcium carbonate 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 N-(2,4-dimethyl-6-ethyl-phenyl)-N'-tert.-pentyl-thiourea
  参考文献：
  名称：

  DE2730620

  摘要：

  公开号：
• 作为产物：
  描述：

  1-(2-氨基-3,5-二甲基苯基)-乙酮 在 三乙基硅烷 、 硼烷四氢呋喃络合物 、 三氟乙酸 作用下， 生成 2-乙基-4,6-二甲基苯胺
  参考文献：
  名称：

  Acyl Substitution at the Ortho Position of Anilides Enhances Oral Bioavailability of Thiophene Sulfonamides:  TBC3214, an ET_A Selective Endothelin Antagonist

  摘要：

  Sitaxsentan (3, TBC11251) (Wu et al. J. Med. Chem. 1997, 40, 1690) is an orally active ETA selective endothelin antagonist that attenuates pulmonary vascular hypertension and cardiac hypertrophy in rats (Tilton et al. Pulm. Pharmacol. Ther. 2000, 13, 87). It has demonstrated efficacy in a phase II clinical trial for congestive heart failure (Givertz et al. Circulation 2000, 101, 2922). During the discovery of 3, we observed several structure-oral bioavailability relationships. To investigate whether there is any generality in these trends, we synthesized some similar pairs of compounds in the latest series (Wu et al. J. Med. Chem. 1999, 42, 4485) and evaluated their oral properties. In both series, an acyl group at the 2-position of the anilide of these thiophene sulfonamides improved oral bioavailability. As a result of this exercise, TBC3214 (17) was identified as a sitaxsentan follow-on candidate. It is very potent (IC50 for ETA = 40 pM) and highly selective for ETA vs ETB receptors (400 000-fold), with a half-life of >4 h and oral bioavailability of 25% in rats, 42% in cats, and 70% in dogs.

  DOI：

  10.1021/jm000349x

文献信息

• [EN] NOVEL RECYCLABLE IODINATING AGENT AND ITS APPLICATIONS<br/>[FR] NOUVEL AGENT D'IODATION RECYCLABLE ET SES APPLICATIONS
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2016113757A1

  公开（公告）日：2016-07-21

  The present invention provides a novel recyclable catalysts of formula A, [Formula A should be inserted here] wherein X is selected from the group consisting of [Formula should be inserted here] The present invention also provides a novel recyclable iodinating agent of formula I, II or III and a process for the synthesis thereof. [ Formula I, II & III should be inserted here] Further, the present invention provides a process of halogenation of amines and heterocyclic compounds by employing recyclable catalyst of formula (I).

  本发明提供了一种新颖的可回收催化剂，其化学式为A，[在此处应插入公式A] 其中X选自以下组中的[在此处应插入公式]。本发明还提供了一种新颖的可回收碘化剂，其化学式为I、II或III，以及其合成过程。[在此处应插入公式I、II和III]此外，本发明提供了一种通过使用化学式为(I)的可回收催化剂对胺和杂环化合物进行卤化的过程。
• CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME
  申请人：Nakashima Yosuke

  公开号：US20140228219A1

  公开（公告）日：2014-08-14

  The present invention provides a compound having an excellent efficacy for controlling weeds. A cyclohexanone compound of the formula (I): wherein m is an integer of 1, 2 or 3; n is an integer of any one of 1 to 5; X represents CH 2 , O, S, S(O) or S(O) 2 ; R 1 represents a hydrogen atom or a methyl group; R 2 and R 3 represents a hydrogen atom, a C 1-6 alkyl group and the like; R 4 represents a C 6-10 aryl group or a five- to six-membered heteroaryl group; G represents a hydrogen atom and the like; Z represents a halogen atom, a cyano group, a nitro group, a phenyl group, a C 1-6 alkyl group and the like; is useful as an active ingredient for herbicides.

  本发明提供了一种对控制杂草具有优异功效的化合物。公式（I）的环己酮化合物：其中m是1、2或3的整数；n是1到5中的任意整数；X代表CH2、O、S、S(O)或S(O)2；R1代表氢原子或甲基基团；R2和R3代表氢原子、C1-6烷基基团等；R4代表C6-10芳基或五元至六元杂芳基；G代表氢原子等；Z代表卤素原子、氰基、硝基、苯基、C1-6烷基基团等；作为除草剂的活性成分是有用的。
• HERBICIDE COMPOSITION
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150289505A1

  公开（公告）日：2015-10-15

  There is provided a herbicidal composition containing a cyclohexanone compound represented by Formula (I) and at least one compound selected from Group A. Group A: consisting of benoxacor, cloquintocet-mexyl, cyometrinil, dichlormid, fenchlorazole-ethyl, fenclorim, flurazole, furilazole, mefenpyr-diethyl, oxabetrinil, isoxadifen-ethyl, cyprosulfamide, fluxofenim, 1,8-naphthalic anhydride, and AD-67.

  提供一种除草剂组合物，含有由化学式（I）表示的环己酮化合物和至少一种来自A组的化合物。 A组：包括苯氧草酮、氯喹托西酮-甲醇、氰甲胺、二氯胺、乙基氟唑醇、氟唑胺、氟唑胺、呋唑胺、二乙基甲基苯酯、奥萨贝特林、乙基异氧苯酮、环丙磺胺、氟苯咪、1,8-萘酐和AD-67。
• N-aryl-N'-(cyclo)-alkyl-thioureas and their use as agents for combating
  申请人：Bayer Aktiengesellschaft

  公开号：US04194008A1

  公开（公告）日：1980-03-18

  N-Aryl-N'-(cyclo)-alkyl-thioureas of the formula ##STR1## in which R.sup.1 represents alkyl-(C.sub.1 -C.sub.6) or cycloalkyl-(C.sub.3 -C.sub.7), R.sup.2 represents alkyl-(C.sub.2 -C.sub.6) or cycloalkyl-(C.sub.3 -C.sub.7), R.sup.3 represents alkyl-(C.sub.1 -C.sub.6), alkenyl-(C.sub.3 -C.sub.6), cycloalkyl-(C.sub.3 -C.sub.7), cycloalkenyl-(C.sub.5 -C.sub.7) or halogen, n represents 0, 1 or 2, and R.sup.7 represents optionally substituted cycloalkyl-(C.sub.3 -C.sub.10), optionally substituted cycloalkenyl-(C.sub.5 -C.sub.10) or the radical ##STR2## in which R.sup.4 represents hydrogen, alkyl-(C.sub.1 -C.sub.6) or cycloalkyl-(C.sub.3 -C.sub.7) and R.sup.5 and R.sup.6 may be identical or different and represent alkyl-(C.sub.1 -C.sub.6) or cycloalkyl-(C.sub.3 -C.sub.7), and acid addition salts thereof, are useful for their ectoparasiticidal, insecticidal, fungicidal and acaricidal effects. These compounds may be produced, inter alia, by reacting aryl isothiocyanates of the formula ##STR3## with amines of the formula H.sub.2 N--R.sup.7.

  公式为##STR1##的N-芳基-N'-(环)-烷基硫脲中，R.sup.1代表烷基-(C.sub.1 -C.sub.6)或环烷基-(C.sub.3 -C.sub.7)，R.sup.2代表烷基-(C.sub.2 -C.sub.6)或环烷基-(C.sub.3 -C.sub.7)，R.sup.3代表烷基-(C.sub.1 -C.sub.6)，烯烃基-(C.sub.3 -C.sub.6)，环烷基-(C.sub.3 -C.sub.7)，环烯烃基-(C.sub.5 -C.sub.7)或卤素，n代表0、1或2，R.sup.7代表可选择取代的环烷基-(C.sub.3 -C.sub.10)，可选择取代的环烯烃基-(C.sub.5 -C.sub.10)或基团##STR2##其中R.sup.4代表氢、烷基-(C.sub.1 -C.sub.6)或环烷基-(C.sub.3 -C.sub.7)，R.sup.5和R.sup.6可能相同也可能不同，代表烷基-(C.sub.1 -C.sub.6)或环烷基-(C.sub.3 -C.sub.7)，以及其酸盐加合物，对它们的杀虫、杀虫、杀真菌和杀螨效果有用。这些化合物可以通过将公式为##STR3##的芳基异硫氰酸酯与公式为H.sub.2 N--R.sup.7的胺反应而制备。
• Sulfonamides and derivatives thereof that modulate the activity of endothelin
  申请人：Texas Biotechnology Corporation

  公开号：US20010056183A1

  公开（公告）日：2001-12-27

  Thienyl-, furyl-, pyrrolyl- and phenylsulfonamides, formulations of pharmaceutically-acceptable derivatives thereof and methods for modulating or altering the activity of the endothelin family of peptides are provided. In particular, N-(isoxazolyl)thienylsulfonamides, N-(isoxazolyl)furylsulfonamides, N-(isoxazolyl)pyrrolylsulfonamides and N-(isoxazolyl)phenylsulfonamides, formulations thereof and methods using these sulfonamides for inhibiting the binding of an endothelin peptide to an endothelin receptor by contacting the receptor with the sulfonamide are provided. Methods for treating endothelin-mediated disorders by administering effective amounts of one or more of these sulfonamides or pharmaceutically acceptable derivatives thereof that inhibit the activity of endothelin are also provided.

  提供了噻吩基、呋喃基、吡咯基和苯基磺酰胺，以及其药学上可接受的衍生物的配方和调节或改变内皮素家族肽活性的方法。具体而言，提供了N-(异噁唑基)噻吩基磺酰胺、N-(异噁唑基)呋喃基磺酰胺、N-(异噁唑基)吡咯基磺酰胺和N-(异噁唑基)苯基磺酰胺，以及这些磺酰胺的配方和使用这些磺酰胺通过与受体接触来抑制内皮素肽与内皮素受体的结合的方法。还提供了通过给予这些磺酰胺或药学上可接受的抑制内皮素活性的衍生物的有效量来治疗内皮素介导的疾病的方法。

表征谱图