ethyl 3-(4-isopropylphenyl)-2-methylacrylate | 53618-31-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: ethyl 3-(4-isopropylphenyl)-2-methylacrylate
• 英文别名: p-Isopropyl-α-methylzimtsaeureethylester；Ethyl 3-(4-isopropylphenyl)-2-methyl-2-propenoate；ethyl 2-methyl-3-(4-propan-2-ylphenyl)prop-2-enoate
• CAS: 53618-31-8
• 化学式: C₁₅H₂₀O₂
• 分子量: 232.323
• InChiKey: NNHWGMZJFSXWRZ-UHFFFAOYSA-N

物化性质

• 沸点：
  323.7±11.0 °C(Predicted)
• 密度：
  0.995±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl 3-(4-isopropylphenyl)-2-methylacrylate 在 lithium aluminium tetrahydride 、 cerium(III) chloride 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以86%的产率得到3-(4-isopropylphenyl)-2-methylprop-2-en-1-ol
  参考文献：
  名称：

  CANNABINOID RECEPTOR MODULATOR

  摘要：

  公开号：

  EP1637527B1
• 作为产物：
  描述：

  4-异丙基苯甲醛 在 sodium hydride 作用下， 以 paraffin oil (nujol) 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.67h， 以96%的产率得到ethyl 3-(4-isopropylphenyl)-2-methylacrylate
  参考文献：
  名称：

  CANNABINOID RECEPTOR MODULATOR

  摘要：

  公开号：

  EP1637527B1

文献信息

• Benzofuran derivatives, their production and use
  申请人：Ohkawa Shigenori

  公开号：US20050187238A1

  公开（公告）日：2005-08-25

  Compounds represented by the formula: wherein R 1 and R 2 are hydrogen atom, a hydrocarbon group or a heterocyclic group, or R 1 and R 2 may form, together with the adjacent carbon atom, a 3- to 8-membered homocyclic or heterocyclic ring, W indicates (i) a group represented by the formula: wherein ring B indicates a 5- to 7-membered ring, or (ii) a group represented by the formula: wherein R 4 indicates (1) an aliphatic hydrocarbon group, which may be substituted with an aromatic group, or (2) an acyl group containing an aromatic group, R 5 is hydrogen atom, a C 1-6 alkyl, or an acyl group, provided that, when W is Wa, R 3 is hydrogen atom, a hydrocarbon group or a heterocyclic group, when W is Wb, R 3 indicates a C 6-14 aryl group, or salts thereof or prodrugs thereof have an excellent action to inhibit neurodegeneration and the like as well as an excellent brain penetrability and are low in the toxicity, thereby being useful as prophylactic or therapeutic drugs for nerve degenerative diseases and the like.

  该化合物的分子式为：其中R1和R2为氢原子、烃基或杂环基，或者R1和R2可以与相邻的碳原子结合形成3至8元环的同环或杂环；W表示(i)一个由以下式子表示的基团：其中环B表示一个5至7元环，或者(ii)一个由以下式子表示的基团：其中R4表示(1)一个脂肪烃基，可以被芳香基取代，或者(2)一个含有芳香基的酰基基团，R5为氢原子、C1-6烷基或酰基基团，当W为Wa时，R3为氢原子、烃基或杂环基，当W为Wb时，R3表示一个C6-14芳基基团。该化合物的盐或前药具有优异的神经退行性疾病等抑制作用，以及优异的脑穿透性和低毒性，因此可用作神经退行性疾病等的预防或治疗药物。
• Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells
  申请人：——

  公开号：US20040034049A1

  公开（公告）日：2004-02-19

  An agent for promoting the proliferation or differentiation of a stem cell and/or neural progenitor cell, comprising a compound represented by Formula: 1 wherein each of R 1 and R 2 is H, a hydrocarbon group or a heterocyclic group, or taken together with the adjacent carbon atom to form a ring, R 3 is H, a hydrocarbon group or a heterocyclic group, W is a group represented by Formula: 2 wherein Ring A is an optionally substituted benzene ring, Ring B is an optionally substituted 5- to 7-membered nitrogen-containing heterocyclic ring, R 4 is an acyl group having an aliphatic hydrocarbon group, which is substituted by an aromatic group and may have a further substitutent, or aromatic group, R 5 is H, C 1-6 alkyl or acyl, R 4c is an aromatic group, an aliphatic hydrocarbon group or acyl, and X is O or S; Y is O, S or NH, Ring C is an optionally substituted benzene ring, or a salt or prodrug thereof is provided.

  一种用于促进干细胞和/或神经前体细胞增殖或分化的药剂，包括由公式1表示的化合物，其中R1和R2中的每一个是H、烃基或杂环基，或与相邻的碳原子结合形成环，R3是H、烃基或杂环基，W是由公式2表示的基团，其中环A是可选取代的苯环，环B是可选取代的含氮5-至7元杂环环，R4是取代芳香基的脂肪烃基的酰基，可以有进一步的取代基，或芳香基，R5是H、C1-6烷基或酰基，R4是芳香基、脂肪烃基或酰基，X是O或S；Y是O、S或NH，环C是可选取代的苯环，或其盐或前药。
• Cannabinoid receptor modulator
  申请人：Ohkawa Shigenori

  公开号：US20090023800A1

  公开（公告）日：2009-01-22

  A cannabinoid receptor modulator containing a compound represented by Formula (I 0 ) wherein, X is an oxygen atom, etc., R 0 is an optionally substituted acylamino group, ring A 0 is a benzene ring which may further have a substituent in addition to R 0 , and ring B is an optionally substituted 5-membered heterocycle, or a salt thereof or a prodrug thereof.

  一种大麻素受体调节剂，包含由公式（I0）表示的化合物，其中X是氧原子等，R0是可选取代的酰胺基团，环A0是苯环，除R0外还可以进一步具有取代基，环B是可选取代的5成员杂环，或其盐或前药。
• Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells
  申请人：Okawa Shigenori

  公开号：US20090012081A1

  公开（公告）日：2009-01-08

  An agent for promoting the proliferation or differentiation of a stem cell and/or neural progenitor cell, comprising a compound represented by Formula: wherein each of R 1 and R 2 is H, a hydrocarbon group or a heterocyclic group, or taken together with the adjacent carbon atom to form a ring, R 3 is H, a hydrocarbon group or a heterocyclic group, W is a group represented by Formula: wherein Ring A is an optionally substituted benzene ring, Ring B is an optionally substituted 5- to 7-membered nitrogen-containing heterocyclic ring, R 4 is an acyl group having an aliphatic hydrocarbon group, which is substituted by an aromatic group and may have a further substitutent, or aromatic group, R 5 is H, C 1-6 alkyl or acyl, R 4c is an aromatic group, an aliphatic hydrocarbon group or acyl, and X is O or S; Y is O, S or NH, Ring C is an optionally substituted benzene ring, or a salt or prodrug thereof is provided.

  一种用于促进干细胞和/或神经祖细胞增殖或分化的药剂，包括由下式表示的化合物：其中R1和R2中的每一个是H、烃基或杂环基，或与相邻的碳原子结合形成环，R3是H、烃基或杂环基，W是由下式表示的基团：其中环A是可选取代的苯环，环B是可选取代的含氮杂环5-至7-元环，R4是取代芳基的脂肪族烃基的酰基，可以具有进一步的取代基或芳基，或者是芳基，R5是H、C1-6烷基或酰基，R4是芳基、脂肪族烃基或酰基，X是O或S；Y是O、S或NH，环C是可选取代的苯环，或其盐或前药。
• Benzofuran derivatives, process for the preparation of the same and uses thereof
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06479536B1

  公开（公告）日：2002-11-12

  Compounds represented by the formula: wherein R1 and R2 are hydrogen atom, a hydrocarbon group or a heterocyclic group, or R1 and R2 may form, together with the adjacent carbon atom, a 3- to 8-membered homocyclic or heterocyclic ring, W indicates (i) a group represented by the formula:  wherein ring B indicates a 5- to 7-membered ring, or (ii) a group represented by the formula:  wherein R4 indicates (1) an aliphatic hydrocarbon group, which may be substituted with an aromatic group, or (2) an acyl group containing an aromatic group, R5 is hydrogen atom, a C1-6 alkyl, or an acyl group, provided that, when W is Wa, R3 is hydrogen atom, a hydrocarbon group or a heterocyclic group, when W is Wb, R3 indicates a C6-14 aryl group, or salts thereof or prodrugs thereof have an excellent action to inhibit neurodegeneration and the like as well as an excellent brain penetrability and are low in the toxicity, thereby being useful as prophylactic or therapeutic drugs for nerve degenerative diseases and the like.

  该化合物的式子为：其中R1和R2是氢原子、烃基或杂环基，或者R1和R2可以与相邻的碳原子一起形成3-至8-成员的同环或异环环；W表示(i)由公式表示的基团：其中环B表示5-至7-成员环，或(ii)由公式表示的基团：其中R4表示(1)烷基烃基，可以用芳香基取代，或(2)含有芳香基的酰基基团，R5是氢原子、C1-6烷基或酰基基团，但当W为Wa时，R3为氢原子、烃基或杂环基，当W为Wb时，R3表示C6-14芳基，或其盐或前药具有出色的抑制神经退行性等作用，以及出色的脑穿透性，毒性低，因此可用作神经退行性疾病的预防或治疗药物等。