N,N,2-trimethyl-3-nitroaniline | 183555-60-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N,2-trimethyl-3-nitroaniline
• 英文别名: 2,N,N-trimethyl-3-nitro-aniline；2,N,N-Trimethyl-3-nitro-anilin；6-Nitro-2-dimethylamino-toluol；N,N-Dimethyl-2-methyl-3-nitroaniline
• CAS: 183555-60-4
• 化学式: C₉H₁₂N₂O₂
• 分子量: 180.206
• InChiKey: KPUSVKGMJNXHTC-UHFFFAOYSA-N

物化性质

• 沸点：
  271.0±20.0 °C(Predicted)
• 密度：
  1.158±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  49.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N,2-trimethyl-3-nitroaniline 在 10% palladium on active carbon 氢气 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 115.0 ℃ 、413.68 kPa 条件下， 反应 11.0h， 生成 N,N-dimethyl-1H-indol-4-amine
  参考文献：
  名称：

  Effects of Aromatic Substituents on the Photocleavage of 1-Acyl-7-nitroindolines

  摘要：

  Photolysis of 1-acyl-7-nitroindolines in aqueous solution gives a carboxylic acid and a 7-nitrosoindole, These compounds are useful as photolabile precursors of carboxylic acids, particularly neuroactive amino acids. The effect of electron-donating substituents at the 4-position has been explored for its effect on photolysis efficiency. 4-Methoxy substitution improved the photolysis efficiency >2-fold but the 4-dimethylamino analogue was essentially inert. A 5-alkyl substituent, that blocks unwanted nitration at this position, reduced the beneficial effect of the 4-methoxy group. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00745-6
• 作为产物：
  描述：

  2-甲基-3-硝基苯胺 在 potassium carbonate 作用下， 以 水 为溶剂， 生成 N,N,2-trimethyl-3-nitroaniline
  参考文献：
  名称：

  Treatment of urinary incontinence by administration of &agr;1L-adrenoceptor agonists

  摘要：

  本发明涉及利用αIL-激动剂治疗尿失禁。

  公开号：

  US06268389B1

文献信息

• 1-Acyl-7-nitroindoline derivatives, their preparation and their use as photocleavable precursors
  申请人：Medical Research Council

  公开号：US06765014B1

  公开（公告）日：2004-07-20

  Photoreleasable compounds comprising a caging moiety linked to an effector moiety represented by structural formula (I) wherein R1 is hydrogen; C1-10 alkyl or substituted alkyl; O(CH2)n—Y; N(COZ)(CH2)mY; or N[(CH2)mY′[(CH2)NY]; R2 and R3 are independently selected from: hydrogen; C1-10 alkyl or substituted alkyl; or R2 and R3 together are cycloalkyl; R4 is hydrogen; C1-10 alkyl or substituted alkyl; phenyl or substituted phenyl; (CH2)nY; or (CH2)mO(CH2)nY; wherein m and n are independently between 1 and 10; Y and Y′ are independently selected from hydrogen, CO2H or salts thereof or OPO32−, Z is hydrogen or C1-10 alkyl or substituted alkyl; and, X is an effector moiety or a group capable of being coupled or converted to an effector moiety, which are capable of releasing the effector moiety on irradiation, typically by flash irradiation with UV light. The photoreleasable compounds can therefor be used to deliver biologically active effector moieties such as neuroactive amino acids or metal chelators to sites where their activity is required.

  含有一个与结构式（I）所代表的效应子结构式相连的光释放化合物，其中R1为氢；C1-10烷基或取代烷基；O(CH2)n—Y；N(COZ)(CH2)mY；或N[(CH2)mY′[(CH2)NY]; R2和R3分别选择自：氢；C1-10烷基或取代烷基；或R2和R3一起为环烷基；R4为氢；C1-10烷基或取代烷基；苯基或取代苯基；(CH2)nY；或(CH2)mO(CH2)nY；其中m和n分别在1和10之间；Y和Y′分别选择自氢、CO2H或其盐或OPO32−，Z为氢或C1-10烷基或取代烷基；X为效应子或能够与效应子偶联或转化的基团，能够在照射下释放效应子，通常通过紫外光的闪烁照射。因此，这些光释放化合物可用于将生物活性效应子，如神经活性氨基酸或金属螯合剂，输送到需要其活性的部位。
• METHOD FOR PRODUCING NITRO COMPOUND
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160318846A1

  公开（公告）日：2016-11-03

  A nitro compound represented by formula (1) which is a raw material for producing a compound represented by formula (7) can be produced by reacting at least one type selected from the group consisting of a compound represented by formula (2), a compound represented by formula (3), and a compound represented by formula (3′) with a compound represented by formula (4). [In the formula, R 1 , R 2 , R 3 , and R 4 are each independently a hydrogen atom, etc., X 1 and X 2 are each independently a chlorine atom, etc., R 6 , R 7 , R 8 , and R 9 are a hydrogen atom, etc., provided that X 1 , X 2 , R 6 , R 7 , R 8 , and R 9 are not all the same, X 3 , X 4 , and X 5 are a halogen atom, R 10 is a nitro group, etc., R 5 is an alkyl group having 1 to 12 carbon atoms, etc., and M is an alkali metal atom.]

  公式（1）代表的一种硝基化合物是生产公式（7）代表的化合物的原料，可以通过将代表的化合物（2）、代表的化合物（3）、和代表的化合物（3'）中至少一种与代表的化合物（4）反应来生产。[在公式中，R1、R2、R3和R4分别独立地是氢原子等，X1和X2分别独立地是氯原子等，R6、R7、R8和R9是氢原子等，条件是X1、X2、R6、R7、R8和R9不全相同，X3、X4和X5是卤素原子，R10是硝基团等，R5是具有1至12个碳原子的烷基团等，M是碱金属原子。]
• [DE] VERWENDUNG VON alpha 1L-AGONISTEN ZUR BEHANDLUNG DER HARNINKONTINENZ<br/>[EN] USE OF alpha 1L AGONISTS IN THE TREATMENT OF INCONTINENCE<br/>[FR] UTILISATION DE SUBSTANCES alpha 1L AGONISTES POUR LE TRAITEMENT DE L'INCONTINENCE
  申请人：BOEHRINGER INGELHEIM KG

  公开号：WO1996032939A1

  公开（公告）日：1996-10-24

  (DE) Die vorliegende Erfindung betrifft die Verwendung von $g(a)1L-Agonisten zur Behandlung der Harninkontinenz.(EN) The invention concerns the use of $g(a)1L agonists in the treatment of incontinence.(FR) L'invention concerne l'utilisation de substances $g(a)1L agonistes pour le traitement de l'incontinence.

  (DE) 这项发明涉及使用$g(a)1L-激动剂治疗尿失禁。(EN) 该发明涉及使用$g(a)1L激动剂治疗失禁。(FR) 本发明涉及使用$g(a)1L激动剂治疗失禁。
• Compounds and methods for treating urinary incontinence
  申请人：Boehringer Ingelheim Pharma Gmbh & Co. KG

  公开号：US20040198796A1

  公开（公告）日：2004-10-07

  Compounds of the formula (II) 1 wherein R 1 , R 2 , R 3 , R 4 , and R 5 are as set forth herein, pharmaceutical compositions containing them, and their use in treating urinary incontinence.

  化学式为（II）的化合物，其中R1，R2，R3，R4和R5如此规定，包含它们的制药组合物以及它们在治疗尿失禁中的使用。
• SKIN TREATMENT COMPOSITONS CONTAINING A CATIONIC POLYMER AND A MICROPARTICLE OR NANOPARTICLE VECTOR
  申请人：——

  公开号：US20020040150A1

  公开（公告）日：2002-04-04

  The present invention relates to the use of &agr; 1L -agonists for treating urinary incontinence.

  本发明涉及使用α1L-激动剂治疗尿失禁。