1-[3-(羟甲基)苯基]己烷-1-醇 | 92532-29-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 1-[3-(羟甲基)苯基]己烷-1-醇
• 英文名称: 1-[3-(hydroxymethyl)phenyl]hexan-1-ol
• 英文别名: 3-(1-hydroxyhexyl)benzyl alcohol
• CAS: 92532-29-1
• 化学式: C₁₃H₂₀O₂
• 分子量: 208.301
• InChiKey: HFTJSDZADAQKRU-UHFFFAOYSA-N

物化性质

• 沸点：
  348.8±22.0 °C(Predicted)
• 密度：
  1.039±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-[3-(羟甲基)苯基]己烷-1-醇 生成 3-(1-Hydroxyhexyl)benzyl p-toluenesulfonate
  参考文献：
  名称：

  MUSSER, JOHN H.;CHAKRABORTY, UTPAL R.

  摘要：

  DOI：
• 作为产物：
  描述：

  3-羟甲基苯硼酸 在 bis(1,5-cyclooctadiene)nickel (0) 4-辛炔 、 水 、 magnesium sulfate 作用下， 以 1,4-二氧六环 、 乙醚 为溶剂， 反应 21.0h， 生成 1-[3-(羟甲基)苯基]己烷-1-醇
  参考文献：
  名称：

  Alkynes as activators in the nickel-catalysed addition of organoboronates to aldehydes

  摘要：

  炔烃不是底物，而是在镍催化剂、有机硼酸盐和醛的存在下作为助催化剂，促进底物与 H2O 的加成反应。

  DOI：

  10.1039/b417353h

文献信息

• Certain unsymmetrical quinolinyl ethers having anti-inflammatory and
  申请人：USV Pharmaceutical Corporation

  公开号：US04794188A1

  公开（公告）日：1988-12-27

  Compounds of the formula: Ar.sub.1 -X-Ar-Z-(R).sub.n' and salts thereof, wherein Ar.sub.1 is a nitrogen, sulfur or oxygen heterocyclic ring; Ar is a phenyl ring or a nitrogen, oxygen or sulfur heterocyclic ring; Ar and Ar.sub.1 may be fully substituted or less than fully substituted with H, CH.sub.3, lower alkyl, aryl, aralkyl, halo, hydroxy, lower alkoxy, CF.sub.3, carboxy, alkylcarboxy, arylcarboxy, alkylcarbalkoxy, alkanoyl, formyl, oxo, nitrilo, amino, aminoalkyl, alkylamine, carboxamide, aryloxy, nitro, sulfonyl, sulfonamide, thio, alkylthio, hydroxyalkyl or oxyalkylcarbalkoxy; X= ##STR1## of up to 2 carbon atoms in the principal chain and up to a total of 4 carbon atoms, ##STR2## Z is an alkylene chain containing up to 10 carbon atoms in the principal chain and a total of up to 12 carbon atoms and from 0 to 2 double bonds and the said alkylene chain may be attached to Ar through an oxygen, sulfur or amino nitrogen atom, and when n'=2, one of the R substituents may be halogen on an omega carbon of the alkylene chain Z; when n'=1, R is a substituent attached to one of the carbon atoms of Z selected from the group consisting of .dbd.O, OR.sub.3, SR.sub.3, N(R.sub.2).sub.2 and R.sub.1, --COR.sub.4 and when n'=2 one R is previously defined and the additional R is a substituent attached to one of the carbon atoms of Z selected from the group consisting of .dbd.O, OR.sub.3, SR.sub.3, N(R.sub.2).sub.2, --COR.sub.4, lactone and halo; R.sub.1 is H or CH.sub.3 ; R.sub.2 is H, lower alkyl, aryl or aralkyl; R.sub.3 is H, lower alkyl, lower alkanoyl, aryl, aralkyl or substituted aryl in which the substituent is halo, lower alkyl or lower alkoxy; R.sub.4 is OR.sub.2 or N(R.sub.2).sub.2 ; n=0 or 1; n'=1 to 7; and n"=0, 1 or 2.

  该公式的化合物是：Ar.sub.1 -X-Ar-Z-(R).sub.n'及其盐，其中Ar.sub.1是氮、硫或氧杂环；Ar是苯环或氮、氧或硫杂环；Ar和Ar.sub.1可能完全或部分取代为H、CH.sub.3、较低烷基、芳基、芳基烷基、卤素、羟基、较低烷氧基、CF.sub.3、羧基、烷基羧基、芳基羧基、烷基羧烷氧基、烷酰基、酰基、氧代、亚硝基、氨基、氨基烷基、烷基胺、羧酰胺、芳氧基、硝基、磺酰基、磺酰胺、硫、烷硫、羟基烷基或氧基烷氧基羧烷；X= ##STR1## 主链中最多含有2个碳原子，并且总共最多含有4个碳原子，##STR2## Z是主链中含有最多10个碳原子和总共最多12个碳原子以及0到2个双键的烷基链，该烷基链可以通过氧、硫或氨基氮原子连接到Ar上，当n'=2时，Z的烷基链上的一个R取代基可能是Z的ω碳上的卤素；当n'=1时，R是连接到Z的碳原子中的一个的取代基，选择自.dbd.O、OR.sub.3、SR.sub.3、N(R.sub.2).sub.2和R.sub.1的群，--COR.sub.4，当n'=2时，一个R已经定义，额外的R是连接到Z的碳原子中的一个的取代基，选择自.dbd.O、OR.sub.3、SR.sub.3、N(R.sub.2).sub.2、--COR.sub.4、内酯和卤素的群；R.sub.1是H或CH.sub.3；R.sub.2是H、较低烷基、芳基或芳基烷基；R.sub.3是H、较低烷基、较低烷酰基、芳基、芳基烷基或取代芳基，其中取代基是卤素、较低烷基或较低烷氧基；R.sub.4是OR.sub.2或N(R.sub.2).sub.2；n=0或1；n'=1到7；n"=0、1或2。
• Certain aryl or hetero-aryl derivatives of 1-hydroxy-pentane or
  申请人：USV Pharmaceutical Corporation

  公开号：US04567184A1

  公开（公告）日：1986-01-28

  Compounds of the structure ##STR1## and pharmaceutically acceptable salts thereof, wherein R.sub.1 and R.sub.2 are independently hydrogen, alkyl, carboxy, alkylcarboxy, arylcarboxy, alkyl carbalkoxy, alkanoyl, formyl, nitrile, amino, amino alkyl, alkylamine, carboxamide, halo, trihalomethyl, hydroxy, alkoxy, aryloxy, nitro, sulfonyl, sulfonamide, thio, alkylthio, or R.sub.1 and R.sub.2 can be taken together to form a phenyl ring; B is C or N, in which N can be in any position of the ring; X is O, S, NR.sub.4, CH.sub.2 Z, CH.dbd.N, CH.dbd.CH, C.tbd.C, CH.sub.2 ZCH.sub.2, C.dbd.O, C.dbd.CR or WC.dbd.O; Y is CHCH.sub.2, C.dbd.CH, C--CH.sub.2, CHCHR.sub.5, CHC(R.sub.5).sub.2 or CC(R.sub.5).sub.2 ; R.sub.3 is O, OH, OR.sub.4, SH, SR.sub.4, NH, HNR.sub.4 or N(R.sub.4).sub.2 ; and M is an integer from 0 to 10; wherein Z is O, S or NR.sub.4 ; R.sub.4 is H, alkyl or aryl; W is O, S or NR.sub.4 ; and R.sub.5 is H, alkyl or fluoro have antiinflammatory and antiallergic activities.

  结构式为##STR1##的化合物及其药学上可接受的盐，其中R.sub.1和R.sub.2独立地为氢、烷基、羧基、烷基羧基、芳基羧基、烷基卡巴酯、烷酰基、甲酰基、腈基、氨基、氨基烷基、烷基胺、羧酰胺、卤素、三卤甲基、羟基、烷氧基、芳氧基、硝基、磺酰基、磺酰胺、硫、烷硫基，或R.sub.1和R.sub.2可以共同形成苯环；B为C或N，其中N可以在环的任何位置；X为O、S、NR.sub.4、CH.sub.2 Z、CH.dbd.N、CH.dbd.CH、C.tbd.C、CH.sub.2 ZCH.sub.2、C.dbd.O、C.dbd.CR或WC.dbd.O；Y为CHCH.sub.2、C.dbd.CH、C--CH.sub.2、CHCHR.sub.5、CHC(R.sub.5).sub.2或CC(R.sub.5).sub.2；R.sub.3为O、OH、OR.sub.4、SH、SR.sub.4、NH、HNR.sub.4或N(R.sub.4).sub.2；M为0到10的整数；其中Z为O、S或NR.sub.4；R.sub.4为H、烷基或芳基；W为O、S或NR.sub.4；R.sub.5为H、烷基或氟，具有抗炎和抗过敏活性。
• Certain [3-(1-hydroxy hexyl-tetrahydro)naphthalenes], the corresponding
  申请人：USV Pharmaceutical Corporation

  公开号：US04778931A1

  公开（公告）日：1988-10-18

  The invention relates to several aryloxy-alkane alcohols, for example 1-(3-(1-hydroxy-1-methylhexyl) phenoxy methyl)-2-methoxy-naphthalene, 2-(1-(3-(1-hydroxy-2,2-dimethylhexyl)phenoxy)ethyl naphthalene, 1-(3-6-phenoxy-1-hydroxyhexyl)phenoxy methyl)-4-methoxy naphthalene, 2-(3-(1-hydroxyhexyl) phenoxymethyl) naphthalene and 2-(3-(1-hydroxyhexyl)phenoxymethyl)-1,2,3,4-tetrahydro naphthalene, methods for their preparation and their use for treating inflammatory and allergic conditions in a mammal.

  该发明涉及几种芳氧基-烷基醇，例如1-(3-(1-羟基-1-甲基己基)苯氧甲基)-2-甲氧基萘，2-(1-(3-(1-羟基-2,2-二甲基己基)苯氧)乙基萘，1-(3-6-苯氧基-1-羟基己基)苯氧甲基)-4-甲氧基萘，2-(3-(1-羟基己基)苯氧甲基)萘和2-(3-(1-羟基己基)苯氧甲基)-1,2,3,4-四氢萘，以及它们的制备方法和用于治疗哺乳动物的炎症和过敏症状的用途。
• Anti-inflammatory/anti-allergic compounds
  申请人：RHONE-POULENC RORER PHARMACEUTICALS INC.

  公开号：EP0181568A2

  公开（公告）日：1986-05-21

  Compounds of the formula: and salts thereof, wherein Ar1 is a nitrogen, sulfur, oxygen heterocyclic ring or aromatic ring; Ar is a phenyl ring or a nitrogen, oxygen or sulfur heterocyclic ring; Ar and Ar1 may be fully substituted or less than fully substituted with H, CH3, lower alkyl, aryl, aralkyl, halo, hydroxy, lower alkoxy, CF3, carboxy, alkylcarboxy, arylcarboxy, alkylcarbalkoxy, alkanoyl, formyl, oxo, nitrilo, amino, aminoalkyl, alkylamine, carboxamide, aryloxy, nitro, sulfonyl, sulfonamide, thio, or alkylthio; X = -O(CHR1)n-, , -NR2(CHR1)n-alkylene of up to 2 carbon atoms in the principal chain and up to a total of 4 carbon atoms, Z is an alkylene chain containing up to 10 carbon atoms in the principal chain and a total of up to 12 carbon atoms and from 0 to 2 double bonds and the said alkylene chain may be attached to Ar through an oxygen, sulfur or amino nitrogen atom, and when n'=2, one of the R substituents may be halogen on an omega carbon of the alkylene chain Z; when n'=1, R is a substituent attached to one of the carbon atoms of Z selected from the group consisting of =0, OR3, SR3, N(R2)2 and R,, -COR4 and when n'=2 one R is previously defined and the additional R is a substituent attached to one of the carbon atoms of Z selected from the group consisting of =O, OR3, SRa, N(R2)2, -COR4, lactone and halo; R1 is H or CH3; R2 is H, lower alkyl, aryl or aralkyl; R3 is H, lower alkyl, lower alkanoyl, aryl, aralkyl or substituted aryl in which the substituent is halo, lower alkyl or lower alkoxy; R4 is OR2 or N(R2)2; n = 0 or 1; n' = 1 to 7; and n" = 0, 1 or 2. 2. A compound of the formula: and salts thereof, wherein Ar1 is quinolyl; Ar is a phenyl, pyridyl or quinolyl ring; X = -O(CHR1)n-, -, NR2(CHR1)n-, alkylene of up to 2 carbon atoms in the principal chain and up to a total of 4 carbon atoms,

  式化合物及其盐类 及其盐类，其中 Ar1 是氮、硫、氧杂环或芳香环； Ar 是苯环或氮、氧或硫杂环； Ar 和 Ar1 可被 H、CH3、低级烷基、芳基、芳烷基、卤代、羟基、低级烷氧基、CF3、羧基、烷基羧基、芳基羧基、烷基羧基、烷基烷氧基、烷酰基、甲酰基、氧代、氮代、氨基、氨基烷基、烷基胺、羧酰胺、芳氧基、硝基、磺酰基、磺酰胺、硫代或烷硫基完全取代或未完全取代； X = -O(CHR1)n-、 、-NR2(CHR1)n-主链上最多 2 个碳原子且总共最多 4 个碳原子的烯烃、 当 n'=2 时，R 取代基之一可以是位于亚烷基链 Z 的欧米伽碳上的卤素； 当 n'=1 时，R 是连接到 Z 的一个碳原子上的取代基，该取代基选自由 =0、OR3、SR3、N(R2)2 和 R、-COR4 组成的组，当 n'=2 时，一个 R 如前定义，另外一个 R 是连接到 Z 的一个碳原子上的取代基，该取代基选自由 =O、OR3、SRa、N(R2)2、-COR4、内酯和卤素组成的组； R1 是 H 或 CH3； R2 是 H、低级烷基、芳基或芳烷基； R3 是 H、低级烷基、低级烷酰基、芳基、芳烷基或取代芳基，其中取代基是卤素、低级烷基或低级烷氧基； R4 是 OR2 或 N（R2）2； n = 0 或 1 n' = 1 至 7；以及 n" = 0、1 或 2。 2.式中的化合物 及其盐类、 其中 Ar1 是喹啉基； Ar 是苯基、吡啶基或醌基环； X = -O(CHR1)n-、 -、NR2(CHR1)n-、主链上最多 2 个碳原子且总共最多 4 个碳原子的亚烷基、
• Antiinflammatory/antiallergic compounds
  申请人：RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation)

  公开号：EP0110405B1

  公开（公告）日：1990-12-27