1-phenylheptan-4-ol | 144741-88-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-phenylheptan-4-ol
• CAS: 144741-88-8
• 化学式: C₁₃H₂₀O
• 分子量: 192.301
• InChiKey: JTYLVUBMVOYUJA-UHFFFAOYSA-N

物化性质

• 沸点：
  302.6±21.0 °C(Predicted)
• 密度：
  0.948±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 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：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-phenylheptan-4-ol 在 硫酸 、 sodium hydride 作用下， 以 水 、 丙酮 为溶剂， 反应 11.17h， 生成 1-(3-phenylpropyl)-1-propyl epoxide
  参考文献：
  名称：

  Rearrangement of (1,2,4-Triazol-4-yl)ethanols to (1,2,4-Triazol-1-yl)ethanols

  摘要：

  The mechanism of rearrangement of beta-hydroxyethyl-(1,2,4-triazoles) has been shown using crossover experiments to be intermolecular and free energy profiles show that reactions are thermodynamically-controlled.

  DOI：

  10.1016/s0040-4020(01)80464-6
• 作为产物：
  描述：

  Acetic acid 4-hydroxy-7-phenyl-heptyl ester 生成 1-phenylheptan-4-ol
  参考文献：
  名称：

  Baker's yeast reduction of arylalkyl and arylalkenil γ- and δ-keto acids

  摘要：

  gamma- and delta-Lactones 5, 6, 13, 14, 15 and 16 were synthesized via baker's yeast reduction of the corresponding keto acids 3 ,4 and 9-12. The enantioselectivity of the reduction is strongly dependent on the nature of the keto acid: the delta-lactones were always obtained in an ee% higher than the gamma-lactones and ranging from 70% to 100%.

  DOI：

  10.1016/s0040-4020(01)81944-x

文献信息

• 6-Membered heterocyclic compound and use thereof
  申请人：Shoda Motoshi

  公开号：US20070060590A1

  公开（公告）日：2007-03-15

  A compound represented by the general formula (I) or a salt thereof: [T represents oxygen atom and the like; V represents CH 2 and the like; R O1 to R O4 represent hydrogen atom and the like; A represents a linear alkylene group or linear alkenylene group having 2 to 8 carbon atoms and the like; D represents carboxyl group and the like; X represents ethylene group, trimethylene group and the like; E represents —CH(OH)— group and the like; and W represent —U 1 —(R W1 )(R W2 )—U 2 —U 3 group (U 1 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; R W1 and R W2 represent hydrogen atom and the like; U 2 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; and U 3 represent an alkyl group having 1 to 8 carbon atoms and the like), or a residue of a carbon ring or heterocyclic compound], which can be utilized as an active ingredient of medicaments effective for prophylactic and/or therapeutic treatment of skeletal diseases such as osteoporosis and fracture, glaucoma, ulcerative colitis and the like.

  由通用公式(I)表示的化合物或其盐： [T代表氧原子等；V代表CH2等；RO1至RO4代表氢原子等；A代表具有2至8个碳原子的线型亚烷基或线型亚烯基等；D代表羧基等；X代表亚乙基、亚丙基等；E代表—CH(OH)—基团等；W代表—U1—(RW1)(RW2)—U2—U3基团（U1代表单键、具有1至4个碳原子的亚烷基等；RW1和RW2代表氢原子等；U2代表单键、具有1至4个碳原子的亚烷基等；U3代表具有1至8个碳原子的烷基等），或碳环或杂环化合物的残基]，其可作为预防性和/或治疗性药物的有效成分，用于治疗骨骼疾病如骨质疏松症和骨折、青光眼、溃疡性结肠炎等。
• SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF
  申请人：Asahi Kasei Pharma Corporation

  公开号：EP1847533A1

  公开（公告）日：2007-10-24

  A compound represented by the general formula (I) or a salt thereof: [T represents oxygen atom and the like; V represents CH2 and the like; RO1 to RO4 represent hydrogen atom and the like; A represents a linear alkylene group or linear alkenylene group having 2 to 8 carbon atoms and the like; D represents carboxyl group and the like; X represents ethylene group, trimethylene group and the like; E represents -CH(OH)- group and the like; and W represent -U1-(RW1)(RW2)-U2-U3 group (U1 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; RW1 and RW2 represent hydrogen atom and the like; U2 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; and U3 represent an alkyl group having 1 to 8 carbon atoms and the like), or a residue of a carbon ring or heterocyclic compound], which can be utilized as an active ingredient of medicaments effective for prophylactic and/or therapeutic treatment of skeletal diseases such as osteoporosis and fracture, glaucoma, ulcerative colitis and the like.

  通式 (I) 所代表的化合物或其盐： [T 代表氧原子等；V 代表 CH2 等；RO1 至 RO4 代表氢原子等；A 代表具有 2 至 8 个碳原子的直链烯基或直链烯基等；D 代表羧基等；X 代表乙烯基、三亚甲基等；E 代表-CH(OH)- 基等；W 代表-U1-(RW1)(RW2)-U2-U3 基（U1 代表单键、具有 1 至 4 个碳原子的亚烷基等）；RW1 和 RW2 代表氢原子等；U2 代表单键、具有 1 至 4 个碳原子的亚烷基等；U3 代表具有 1 至 8 个碳原子的烷基等），或碳环或杂环化合物的残基]，可用作有效预防和/或治疗骨质疏松症和骨折等骨骼疾病、青光眼、溃疡性结肠炎等疾病的药物的活性成分。
• BIOFUEL PRODUCTION
  申请人：Bio Architecture Lab, Inc.

  公开号：EP2195440A2

  公开（公告）日：2010-06-16
• US7531533B2
  申请人：——

  公开号：US7531533B2

  公开（公告）日：2009-05-12
• [EN] BIOFUEL PRODUCTION<br/>[FR] PRODUCTION DE BIOCARBURANT
  申请人：BIO ARCHITECTURE LAB INC

  公开号：WO2009046375A2

  公开（公告）日：2009-04-09

  Methods, enzymes, recombinant microorganism, and microbial systems are provided for converting polysaccharides, such as those derived from biomass, into suitable monosaccharides or oligosaccharides, as well as for converting suitable monosaccharides or oligosaccharides into commodity chemicals, such as biofuels. Commodity chemicals produced by the methods described herein are also provided. Commodity chemical enriched, refinery-produced petroleum products are also provided, as well as methods for producing the same.