4-(4-异丙基苯基)丁酸 | 7501-37-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 4-(4-异丙基苯基)丁酸
• 英文名称: 4-(4-isopropylphenyl)butanoic acid
• 英文别名: 4-(4-isopropyl-phenyl)-butyric acid；4-(4-Isopropyl-phenyl)-buttersaeure；γ-(4-Isopropyl-phenyl)-buttersaeure；4-(4-propan-2-ylphenyl)butanoic acid
• CAS: 7501-37-3
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: COMUZXZDTNYSJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  4-(4-异丙基苯基)丁酸 在 乙醚 、 硫酸 作用下， 生成 7-異丙-1-甲萘
  参考文献：
  名称：

  Barnett; Sanders, Journal of the Chemical Society, 1933, p. 434,436

  摘要：

  DOI：
• 作为产物：
  描述：

  异丙苯 在 盐酸 、 三氯化铝 、 amalgamated zinc 、 溶剂黄146 、 硝基苯 作用下， 生成 4-(4-异丙基苯基)丁酸
  参考文献：
  名称：

  Barnett; Sanders, Journal of the Chemical Society, 1933, p. 434,436

  摘要：

  DOI：

文献信息

• N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES
  申请人：Salvati Mark E.

  公开号：US20100041717A1

  公开（公告）日：2010-02-18

  Compounds of formula (Ia) and (Ib), wherein A, B, C, R 1 and R 14 are described herein.

  式(Ia)和(Ib)的化合物，其中A、B、C、R1和R14如本文所述。
• NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS
  申请人：MetCalf, III Chester A.

  公开号：US20100184649A1

  公开（公告）日：2010-07-22

  The present invention relates to novel lipopeptide compounds, pharmaceutical compositions of these compounds and methods of using these compounds as antibacterial compounds. The compounds of the invention are particularly useful against a variety of bacteria, including resistant strains. The compounds are useful as antibacterial agents against Clostridium difficile.

  本发明涉及新型脂肽化合物，这些化合物的药物组合物以及使用这些化合物作为抗菌化合物的方法。本发明的化合物特别适用于对抗各种细菌，包括耐药菌株。这些化合物可用作抗Clostridium difficile的抗菌剂。
• Synthesis of 1,1,5,6-Tetramethyl- and 7-Isopropyl-1,1-dimethyl-1,2,3,4-tetrahydronaphthalene
  作者：Ramchandra Bhimrao Mane、Abhijit Jaysingrao Kadam、Rajashree Sandeep Salunkhe

  DOI：10.1135/cccc19990527

  日期：——

  4-(2,3-Dimethylphenyl)butanoic acid (4) was treated with excess of methyllithium to yield 5-(2,3-dimethylphenyl)-2-methylpentan-2-ol (6) which was cyclodehydrated using Dowex 50W-X8 resin, trifluoroacetic acid or polyphosphoric acid (PPA) to furnish 1,1,5,6-tetramethyl-1,2,3,4-tetrahydronaphthalene (1). The acid 4 was cyclized with PPA to furnish 5,6-dimethyl-3,4-dihydronaphthalen-1(2H)-one (5) which was converted into 1 by reaction with dimethylzinc and titanium tetrachloride. 4-(4-Isopropylphenyl)butanoic acid (7) on esterification followed by Grignard reaction with methylmagnesium iodide furnished 5-(4-isopropylphenyl)-2-methylpentan-2-ol (9), which was cyclodehydrated as above to yield 7-isopropyl-1,1-dimethyl-1,2,3,4-tetrahydronaphthalene (2).

  4-(2,3-二甲基苯基)丁酸（4）经过过量的甲基锂处理，生成5-(2,3-二甲基苯基)-2-甲基戊烷-2-醇（6），然后使用Dowex 50W-X8树脂、三氟乙酸或多磷酸（PPA）进行环化脱水，得到1,1,5,6-四甲基-1,2,3,4-四氢萘（1）。酸 4 与PPA环化，生成5,6-二甲基-3,4-二氢萘-1(2H)-酮（5），经过与二甲基锌和四氯化钛反应转化为 1。4-(4-异丙基苯基)丁酸（7）在酯化后与甲基镁碘反应，生成5-(4-异丙基苯基)-2-甲基戊烷-2-醇（9），然后进行上述的环化脱水，得到7-异丙基-1,1-二甲基-1,2,3,4-四氢萘（2）。
• Phosphonic acid compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05716944A1

  公开（公告）日：1998-02-10

  The present invention relates to a compound of the general formula (I): ##STR1## wherein ring A is a benzene ring that may be substituted; Y is a divalent group as a constituent member of ring B forming a 5- to 8-membered ring; Q.sub.1 is a group of the formula --X--P(O)(OR.sup.1)(OR.sup.2) wherein X is a bond or a divalent group; R.sup.1 and R.sup.2, identical or different, are hydrogen or a lower alkyl, or may be combined together to form a ring; Q.sub.2 is hydrogen, a hydrocarbon group that may be substituted or a heterocyclic group that may be substituted; and the group of the formula --CON(Q.sub.1)(Q.sub.2) is connected to the a- or b-position carbon atom, or a salt thereof, which is useful as prophylactic and therapeutic agents of various metabolic bone diseases such as osteoporosis.

  本发明涉及一种具有一般式(I)的化合物：##STR1## 其中环A是可能被取代的苯环；Y是构成5-到8-成员环的环B的一个成员的二价基团；Q.sub.1是具有式--X--P(O)(OR.sup.1)(OR.sup.2)的基团，其中X是键或二价基团；R.sup.1和R.sup.2，相同或不同，是氢或较低的烷基，或可结合在一起形成环；Q.sub.2是氢、可能被取代的烃基或可能被取代的杂环基团；以及具有式--CON(Q.sub.1)(Q.sub.2)的基团连接到a-或b-位置的碳原子，或其盐，其作为各种代谢性骨疾病如骨质疏松症的预防和治疗剂。
• [EN] NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS<br/>[FR] NOUVEAUX AGENTS ANTIBACTÉRIENS POUR LE TRAITEMENT D'INFECTIONS GRAM POSITIVES
  申请人：CUBIST PHARM INC

  公开号：WO2010075215A1

  公开（公告）日：2010-07-01

  The present invention relates to novel lipopeptide compounds, pharmaceutical compositions of these compounds and methods of using these compounds as antibacterial compounds. The compounds of the invention are particularly useful against a variety of bacteria, including resistant strains. The compounds are useful as antibacterial agents against Clostridium difficile.

  本发明涉及新型脂肽化合物、这些化合物的药物组成物以及使用这些化合物作为抗菌化合物的方法。本发明的化合物特别适用于对抗各种细菌，包括抗药性菌株。这些化合物对于Clostridium difficile的抗菌剂非常有用。

表征谱图