4-bromo-N-isopentyl-N-methylaniline | 91935-10-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-bromo-N-isopentyl-N-methylaniline
• 英文别名: N-Methyl-N-isoamyl-4-brom-anilin；4-Brom-N-isopentyl-N-methyl-anilin；N-methyl-N-(3-methylbutyl)-4-bromo-aniline；4-Bromo-N-methyl-N-(3-methylbutyl)aniline
• CAS: 91935-10-3
• 化学式: C₁₂H₁₈BrN
• 分子量: 256.186
• InChiKey: VLTUESNJRNHSDF-UHFFFAOYSA-N

物化性质

• 沸点：
  310.2±15.0 °C(Predicted)
• 密度：
  1.219±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  丙烯酰碘 、 4-bromo-N-isopentyl-N-methylaniline 生成 (+/-)-N-allyl-4-bromo-N-isopentyl-N-methyl-anilinium; iodide
  参考文献：
  名称：

  Lynn Sbaih interviews Karen Castille, Director, Emergency Services Programme, National Patients’ Access Team, NHS Executive

  摘要：

  DOI：

  10.1054/aaen.2000.0207
• 作为产物：
  描述：

  N-isopentyl-N-methylaniline 在 二溴亚砜 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 5.75h， 生成 4-bromo-N-isopentyl-N-methylaniline
  参考文献：
  名称：

  亚硫酰卤处理N，N-二烷基苯胺N-氧化物合成卤代苯胺

  摘要：

  N，N-二烷基苯胺N-氧化物的特殊反应性使得可以方便实用地获得富含电子的芳基卤化物。一对互补的反应协议允许用于选择性对-bromination或邻位的-chlorination N，N- -dialkylanilines在高达69％的分离收率。通过将N，N-二烷基苯胺暂时氧化为相应的N，N-二烷基苯胺N-氧化物并去除生成的弱N – O ，可以生成各种卤化苯胺 通过在低温下用亚硫酰溴或亚硫酰氯处理可实现键合。

  DOI：

  10.1021/acs.joc.8b01590

文献信息

• Novel steroids
  申请人：Roussell Uclaf

  公开号：US04386085A1

  公开（公告）日：1983-05-31

  Novel 19-nor steroids and 19-nor-D-homo-steroids of the formula ##STR1## wherein R.sub.1 is an organic radical of 1 to 18 carbon atoms containing at least one atom selected from the group consisting of nitrogen, phosphorous and silicon with the atom immediately adjacent to the 11-carbon atom being carbon, R.sub.2 is a hydrocarbon of 1 to 8 carbon atoms, X is selected from the group consisting of a pentagonal ring and a hexagonal ring optionally substituted and optionally containing a double bond, B and C together form a double bond or an epoxy group, the C.dbd.A group at position 3 is selected from the group consisting of C.dbd.O, ketal, ##STR2## --C.dbd.NOH, --C.dbd.NOAlK.sub.3 and .dbd.CH.sub.2, AlK.sub.1, AlK.sub.2 and AlK.sub.3 are selected from the group consisting of alkyl of 1 to 8 carbon atoms and aralkyl of 7 to 15 carbon atoms and their non-toxic, pharmaceutically acceptable acid addition salts having anti-glucocorticoid activity and a process for their preparation.

  该专利涉及的是化学物质，具体为式子##STR1##中的19-去甲基类固醇和19-去甲基-D-同系类固醇，其中R.sub.1是一个含有至少一个来自氮、磷和硅的原子的1到18个碳原子的有机基团，其紧邻11-碳原子的原子为碳，R.sub.2是一个1到8个碳原子的碳氢化合物，X从五角形环和六角形环中选择，可以选择性地取代和选择性地包含双键，B和C一起形成双键或环氧基团，C.dbd.A在位置3处的基团从C.dbd.O，ketal，##STR2## --C.dbd.NOH，--C.dbd.NOAlK.sub.3和.dbd.CH.sub.2中选择，AlK.sub.1，AlK.sub.2和AlK.sub.3从1到8个碳原子的烷基和7到15个碳原子的芳基烷基中选择，以及具有抗糖皮质激素活性和制备它们的过程的非毒性、药学上可接受的酸盐。
• Steroid derivatives
  申请人：Roussel Uclaf

  公开号：US04447424A1

  公开（公告）日：1984-05-08

  Novel 19-nor steroids and 19-nor-D-homo-steroids of the formula ##STR1## wherein R.sub.1 is an organic radical of 1 to 18 carbon atoms containing at least one atom selected from the group consisting of nitrogen, phosphorous and silicon with the atom immediately adjacent to the 11-carbon atom being carbon, R.sub.2 is a hydrocarbon of 1 to 8 carbon atoms, X is selected from the group consisting of a pentagonal ring and a hexagonal ring optionally substituted and optionally containing a double bond, B and C together form a double bond or an epoxy group, the C.dbd.A group at position 3 is selected from the group consisting of C--O, ketal, which may be open or closed ##STR2## --C.dbd.NOH, --C--NOAlK.sub.3 and C--CH.sub.2, AlK.sub.1, AlK.sub.2 and AlK.sub.3 are selected from the group consisting of alkyl of 1 to 8 carbon atoms and aralkyl of 7 to 15 carbon atoms and their non-toxic, pharmaceutically acceptable acid addition salts having anti-glucocorticoid activity and a process for their preparation.

  19-去甲基类固醇和19-去甲基-D-同型类固醇的化学式为 ##STR1## 其中，R.sub.1是一个有机基团，含有1到18个碳原子，其中至少有一个原子选自氮、磷和硅的群组，紧邻11碳原子的原子为碳；R.sub.2是1到8个碳原子的碳氢化合物；X选自五角形环和六角形环，可选地取代并且可选地含有双键；B和C在一起形成双键或环氧基团；在3号位置的C.dbd.A基团选自C--O、ketal（可开放或闭合）##STR2## --C.dbd.NOH、--C--NOAlK.sub.3和C--CH.sub.2；AlK.sub.1、AlK.sub.2和AlK.sub.3选自1到8个碳原子的烷基和7到15个碳原子的芳基烷基，以及具有抗糖皮质激素活性的其非毒性、药学上可接受的酸盐，以及其制备方法。
• Steroids
  申请人：Roussel Uclaf

  公开号：US04519946A1

  公开（公告）日：1985-05-28

  Novel 19-nor steroids and 19-nor-D-homo-steroids of the formula ##STR1## wherein R.sub.1 is an organic radical of 1 to 18 carbons atoms containing at least one atom selected from the group consisting of nitrogen, phosphorous and silicon with the atom immediately adjacent to the 11-carbon atom being carbon, R.sub.2 is a hydrocarbon of 1 to 8 carbon atoms, X is selected from the group consisting of a pentagonal ring and a hexagonal ring optionally substituted and optionally containing a double bond, B and C together form a double bond or an epoxy group, the C=A group at position 3 is selected from the group consisting of C-O, ketal, which may be open or closed ##STR2## --C.dbd.NOH,--C--NOAlK.sub.3 and C--CH.sub.2,AlK.sub.1, AlK.sub.2 and AlK.sub.3 are selected from the group consisting of alkyl of 1 to 8 carbon atoms and aralkyl of 7 to 15 carbon atoms and their non-toxic, pharmaceutically acceptable acid addition salts having anti-glucocoritcoid activity and a process for their preparation.

  19-去甲基类固醇和19-去甲基D-同系类固醇的化学式为##STR1##其中R.sub.1是一个有机基团，含有1至18个碳原子，其中至少一个原子选自氮、磷和硅，紧邻11-碳原子的原子为碳，R.sub.2是1至8个碳原子的碳氢化合物，X选自五角形环和六角形环，可选地取代和可选地含有双键，B和C一起形成双键或环氧基团，位于3号位置的C=A基团选自C-O、ketal（可以开放或关闭）##STR2##--C.dbd.NOH、--C--NOAlK.sub.3和C--CH.sub.2，AlK.sub.1、AlK.sub.2和AlK.sub.3选自1至8个碳原子的烷基和7至15个碳原子的芳基烷基，以及具有抗糖皮质激素活性的非毒性、药用酸盐及其制备方法。
• Novel 11.beta.-substituted -19-nor-steriods
  申请人：Roussel Uclaf

  公开号：US05043332A1

  公开（公告）日：1991-08-27

  Novel 19-nor-steroids of the formula ##STR1## wherein R.sub.1 is an organic group of 1 to 18 carbon atoms optionally containing at least one heteroatom with the atom immediately adjacent the 11-carbon atom being carbon, R.sub.2 is a hydrocarbon of 1 to 8 carbon atoms, X is the remainder of a pentagonal or hexagonal ring optionally substituted and optionally containing one unsaturated--bond, the A and B rings are selected from the group consisting of ##STR2## R' and R" are individually selected from the group consisting of hydrogen, --CN and alkyl of 1 to 4 carbon atoms, R.sub.x is selected from the group consisting of hydrogen and OR.sub.e, R.sub.e is selected from the group consisting of hydrogen, optionally substituted alkyl of 1 to 6 carbon atoms and acyl, R.sub.a may be in the E or Z positions as indicated by the wavy line and is selected from the group consisting of ##STR3## and acyloxy, R'.sub.a and R".sub.a are alkyl of 1 to 4 carbon atoms or taken together with the nitrogen atom form a heterocycle of 5 to 6 chain members optionally containing another heteroatom--with the proviso that when A and B are ##STR4## wherein R' and R" are both hydrogen, R.sub.1 contains at least one nitrogen, phosphorus or silicium atom and when A and B are ##STR5## R.sub.1 is not a linear alkyl and their non-toxic, pharmaceutically acceptable acid addition salts having a remarkable antiglucocorticoid activity, their preparation and novel intermediates.

  式子为##STR1##的新型19-去甲基类固醇，其中R.sub.1是1至18个碳原子的有机基团，可选含有至少一个杂原子，其紧邻11-碳原子的原子为碳；R.sub.2是1至8个碳原子的烃基；X是五角形或六角形环的余数，可选取代，并可选含有一个不饱和键；A和B环选自##STR2##；R'和R"各自选自氢、-CN和1至4个碳原子的烷基；R.sub.x选自氢和OR.sub.e；R.sub.e选自氢、1至6个碳原子的可选取代烷基和酰基；R.sub.a可以在波浪线所示的E或Z位置，选自##STR3##和酰氧基；R'.sub.a和R".sub.a是1至4个碳原子的烷基，或与氮原子结合形成5至6个链成员的杂环，可选含有另一个杂原子。但当A和B为##STR4##且R'和R"均为氢时，R.sub.1至少含有一个氮、磷或硅原子；当A和B为##STR5##时，R.sub.1不是线性烷基。此类新型19-去甲基类固醇具有显著的抗糖皮质激素活性，其制备方法和新型中间体也在本发明中描述。同时，还包括其无毒、药学上可接受的酸盐。
• Hill, Chemisches Zentralblatt, 1907, vol. 78, # II, p. 798
  作者：Hill

  DOI：——

  日期：——