N-isopentyl-N-methylaniline | 91935-09-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-isopentyl-N-methylaniline
• 英文别名: N-Isopentyl-N-methyl-anilin；Methylisoamylanilin；N-methyl-N-(3-methylbutyl)-aniline；N-methyl-N-(3-methylbutyl)aniline
• CAS: 91935-09-0
• 化学式: C₁₂H₁₉N
• 分子量: 177.29
• InChiKey: IPURVYKDOUQLDY-UHFFFAOYSA-N

物化性质

• 沸点：
  247.0±9.0 °C(Predicted)
• 密度：
  0.914±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  13
• 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：

  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
• 作为产物：
  描述：

  苯基三甲基碘化铵 在 氢氧化钾 作用下， 生成 N-isopentyl-N-methylaniline
  参考文献：
  名称：

  Claus; Rautenberg, Chemische Berichte, 1881, vol. 14, p. 621

  摘要：

  DOI：

文献信息

• Novel 11.beta.-substituted-19-nor-steroids
  申请人：Roussel Uclaf

  公开号：US04978657A1

  公开（公告）日：1990-12-18

  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 leat 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 contain 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.

  新型19-去甲类固醇，其通式如##STR1##所示，其中R1为含有1至18个碳原子的有机基团，该基团可选择性地包含至少一个杂原子，且紧邻11号碳原子的原子为碳；R2为含有1至8个碳原子的烃；X为五元或六元环的剩余部分，该环可选择性地被取代，且可选择性地含有一个不饱和键；A环和B环选自以下组：##STR2##R'和R"各自独立地选自氢、-CN和含有1至4个碳原子的烷基；R_x选自氢和OR_e；R_e选自氢、含有1至6个碳原子的可选择性取代的烷基和酰基；R_a可位于E或Z位置，如波浪线所示，并选自以下组：##STR3##和酰氧基；R_a'和R_a"各自为含有1至4个碳原子的烷基，或者与氮原子一起形成含有5至6个链节且可选择性地包含另一个杂原子的杂环，但条件是当A和B为##STR4##时，其中R'和R"均为氢，R1至少包含一个氮、磷或硅原子，且当A和B为##STR5##时，R1不是直链烷基；及其无毒、药学上可接受的酸加成盐，具有显著的抗糖皮质激素活性，其制备方法及新型中间体。
• Nucleophilic Attack of α-Aminoalkyl Radicals on CarbonNitrogen Triple Bonds to Construct α-Amino Nitriles: An Experimental and Computational Study
  作者：Chao Zhang、Chunmei Liu、Ying Shao、Xiaoguang Bao、Xiaobing Wan

  DOI：10.1002/chem.201303296

  日期：2013.12.23

  A new reactivity pattern of α‐aminoalkyl radicals, involving nucleophilic attack on CN triple bonds under thermal conditions, has been developed to construct α‐amino nitriles. In contrast to previous CH functionalization of tertiary amines involving α‐aminoalkyl radicals, this methodology does not require the use of photocatalytic conditions or a transition‐metal catalyst. Inexpensive and nontoxic

  已经开发出一种新的α-氨基烷基自由基反应性模式，涉及在热条件下对C onN三键的亲核攻击，以构建α-氨基腈。相较于以前的C H涉及α-氨基烷基自由基的叔胺的H官能化，该方法不需要使用光催化条件或过渡金属催化剂。选择廉价且无毒的苯乙腈作为该α-氨基腈形成反应的氰基来源。根据实验和计算结果，提出了一种合理的机制。在这种绿色温和的自由基过程中，α-氨基烷基自由基中间体和苯甲酰氰被证明是关键中间体。α-氨基烷基自由基对PhCOCN的CN键的亲核攻击，然后进行消除步骤，形成了所需的α-氨基腈和酰基基团。
• 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.

  新型19-去氢类类固醇和19-去氢-D-同形类固醇的化学式为##STR1##其中R.sub.1是一个有机基，含有1至18个碳原子，其中至少有一个原子选自氮、磷和硅组成的基团，紧邻第11个碳原子的原子为碳，R.sub.2是含有1至8个碳原子的烃基，X选自一个五角环和一个六角环，可选地取代并可含有双键，B和C一起形成一个双键或环氧基团，位置3的C.dbd.A基团选自C.dbd.O、ketal、##STR2## --C.dbd.NOH、--C.dbd.NOAlK.sub.3和.dbd.CH.sub.2，AlK.sub.1、AlK.sub.2和AlK.sub.3选自含有1至8个碳原子的烷基和含有7至15个碳原子的芳基烷基，以及其无毒、药学上可接受的酸盐，具有抗糖皮质激素活性，以及它们的制备方法。
• 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-去氢类固醇和19-去氢-D-同型类固醇的结构式为##STR1##其中R.sub.1是含有1至18个碳原子的有机基，其中至少含有一种来自氮、磷和硅的原子，且紧邻第11个碳原子的原子为碳，R.sub.2是含有1至8个碳原子的烃基，X选自一个五角环和一个六角环，可选择性取代，也可含有双键，B和C共同形成一个双键或环氧基团，3号位的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选自含有1至8个碳原子的烷基和含有7至15个碳原子的芳基烷基，以及它们的无毒、药学上可接受的酸盐，具有抗糖皮质激素活性，并提供其制备方法。
• 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。